data_2rv6_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2rv6 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.2 m -133.79 136.6 44.61 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.732 0.813 . . . . 0.0 112.142 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.12 134.05 45.55 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.402 1.481 . . . . 0.0 111.687 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -85.38 -7.92 58.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -104.77 -30.48 9.87 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -135.31 5.22 3.23 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 59.83 15.95 5.27 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.553 1.941 . . . . 0.0 115.596 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -64.67 151.04 45.97 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.055 -1.028 . . . . 0.0 112.06 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.52 137.37 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.543 1.537 . . . . 0.0 110.926 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -134.57 146.08 49.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.417 1.887 . . . . 0.0 111.604 -172.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -77.04 -25.46 52.54 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.502 1.121 . . . . 0.0 113.576 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -137.35 152.59 49.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.324 1.45 . . . . 0.0 112.051 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -64.11 -34.91 79.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.552 0.741 . . . . 0.0 112.81 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -65.34 -32.85 74.71 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.637 0.653 . . . . 0.0 112.739 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 m -68.2 -40.64 82.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.443 0.697 . . . . 0.0 111.64 173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.92 -44.04 86.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.018 0.527 . . . . 0.0 111.767 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -60.68 -39.66 89.27 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.157 -0.965 . . . . 0.0 112.613 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.1 67.79 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -66.58 -42.69 86.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.652 0.781 . . . . 0.0 112.301 173.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.4 mt -57.88 -19.8 32.0 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.507 1.123 . . . . 0.0 113.856 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -56.12 -29.36 60.55 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.786 1.235 . . . . 0.0 113.521 174.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 pt . . . . . 0 N--CA 1.475 0.818 0 CA-C-N 119.269 0.94 . . . . 0.0 112.662 177.677 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 CA--C 1.535 0.535 0 N-CA-C 115.17 1.181 . . . . 0.0 115.17 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -93.08 87.12 5.61 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.598 0.759 . . . . 0.0 111.108 -171.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -92.33 140.96 29.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.296 1.438 . . . . 0.0 111.963 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.13 134.3 87.43 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 124.425 1.09 . . . . 0.0 110.719 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.06 -13.83 17.1 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.161 2.574 . . . . 0.0 112.45 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -102.78 -31.0 10.52 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -143.06 -176.23 4.83 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.755 1.161 . . . . 0.0 113.086 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -71.65 -0.66 11.35 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.106 1.362 . . . . 0.0 114.503 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.78 143.76 57.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.907 1.683 . . . . 0.0 113.645 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.15 154.8 43.54 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.532 1.133 . . . . 0.0 113.229 170.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -138.1 157.41 46.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.55 1.94 . . . . 0.0 112.233 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.21 -2.44 56.51 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.768 1.227 . . . . 0.0 113.451 169.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.7 mt -136.42 132.4 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.457 1.503 . . . . 0.0 110.608 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -66.07 -37.1 84.97 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.158 0.983 . . . . 0.0 112.669 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.48 -39.91 94.68 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.778 0.831 . . . . 0.0 112.118 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -68.77 -32.28 71.91 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.327 -0.858 . . . . 0.0 111.854 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.42 -37.51 87.15 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.242 -0.911 . . . . 0.0 111.671 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -64.13 -39.3 93.73 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.953 1.252 . . . . 0.0 112.521 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.38 -25.82 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.782 1.233 . . . . 0.0 112.215 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -80.56 -45.76 16.86 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.12 -36.21 76.97 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.782 -1.199 . . . . 0.0 112.708 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.61 -20.95 62.08 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -73.18 -28.32 62.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.106 0.962 . . . . 0.0 112.687 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 . . . . . 0 CA--C 1.547 0.843 0 C-N-CA 124.046 0.938 . . . . 0.0 113.519 172.825 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 CA--C 1.537 0.443 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.05 141.06 48.52 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.364 1.066 . . . . 0.0 112.938 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 36.3 t -65.69 145.54 55.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.103 1.361 . . . . 0.0 112.668 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -88.38 -10.51 49.09 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.797 1.239 . . . . 0.0 112.519 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -117.61 -22.4 8.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.24 1.416 . . . . 0.0 113.656 -171.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.8 p -146.19 -170.76 3.57 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.803 1.641 . . . . 0.0 112.196 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 m -83.68 1.77 40.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.274 1.43 . . . . 0.0 114.548 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -63.54 144.79 56.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.627 1.171 . . . . 0.0 114.06 -174.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 p -135.02 146.09 48.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.685 1.594 . . . . 0.0 111.92 170.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.8 p -145.4 172.01 13.79 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.924 1.29 . . . . 0.0 111.408 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tp -94.65 13.26 24.86 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -171.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -149.79 136.36 19.21 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.891 1.277 . . . . 0.0 112.106 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -62.87 -27.86 69.64 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 171.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.95 -44.21 69.13 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.873 0.749 . . . . 0.0 111.885 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -64.07 -36.0 82.59 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.93 -0.747 . . . . 0.0 111.39 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.75 -42.54 90.82 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.526 -0.734 . . . . 0.0 112.225 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -59.08 -40.2 84.49 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.661 -0.649 . . . . 0.0 111.325 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.46 -30.35 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.711 1.204 . . . . 0.0 112.43 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -64.92 -48.05 75.54 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.419 -1.426 . . . . 0.0 110.599 168.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.77 -46.52 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.789 0.836 . . . . 0.0 110.775 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -63.38 -27.72 69.5 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -92.19 -40.13 11.17 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.0 t -97.48 -34.37 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.023 0.929 . . . . 0.0 112.779 -169.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.715 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 119.916 -0.088 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -135.0 134.59 40.64 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.459 0.704 . . . . 0.0 111.972 -170.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.5 t -74.96 127.57 33.54 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.206 1.403 . . . . 0.0 111.123 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.24 -8.49 59.76 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -102.91 -31.29 10.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.365 1.066 . . . . 0.0 113.747 -174.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 p -133.9 8.96 3.84 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 58.49 20.93 7.98 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.332 1.853 . . . . 0.0 115.55 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -73.31 151.31 41.36 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.637 1.175 . . . . 0.0 111.842 172.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.5 t -119.58 138.19 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.171 1.388 . . . . 0.0 110.764 -177.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -134.99 149.48 50.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.965 2.106 . . . . 0.0 111.114 -173.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -80.11 -27.39 39.2 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -176.238 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -131.9 154.62 49.03 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.031 0.932 . . . . 0.0 113.04 -173.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -60.32 -41.95 94.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.431 1.093 . . . . 0.0 111.974 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -66.37 -32.75 74.34 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.46 0.704 . . . . 0.0 112.793 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -65.77 -45.82 81.06 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.637 0.775 . . . . 0.0 111.414 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.86 -44.1 86.42 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 122.056 -0.403 . . . . 0.0 111.946 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -61.21 -39.37 89.98 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.537 1.062 . . . . 0.0 112.779 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.45 63.66 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -67.9 -43.73 78.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.325 0.65 . . . . 0.0 111.979 170.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.06 -21.43 45.6 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.899 1.279 . . . . 0.0 113.925 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -52.38 -28.11 18.35 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 pt . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 177.782 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 CA--C 1.536 0.617 0 N-CA-C 114.931 1.089 . . . . 0.0 114.931 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -87.41 77.01 8.96 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.779 0.8 . . . . 0.0 111.211 -171.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.28 143.59 33.53 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.77 1.628 . . . . 0.0 112.035 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.5 t -72.51 136.33 81.05 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 124.409 1.084 . . . . 0.0 111.245 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.44 -9.64 21.67 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.482 2.788 . . . . 0.0 113.093 172.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -116.8 -25.68 7.22 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -145.45 -174.46 4.4 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.386 1.448 . . . . 0.0 113.445 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -72.82 -1.21 15.79 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.313 1.445 . . . . 0.0 114.508 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.92 140.92 56.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.32 1.448 . . . . 0.0 112.983 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.08 150.23 35.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.824 1.25 . . . . 0.0 111.99 169.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -138.16 161.55 36.52 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.648 1.179 . . . . 0.0 113.446 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.7 -4.94 58.41 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.914 1.285 . . . . 0.0 112.854 169.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.0 mt -128.91 128.86 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.159 1.384 . . . . 0.0 110.71 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.78 -38.09 85.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.174 0.99 . . . . 0.0 113.065 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.13 67.86 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.629 0.772 . . . . 0.0 112.943 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -70.71 -41.68 71.59 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.146 -0.971 . . . . 0.0 110.533 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.77 -38.43 85.24 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.636 -0.665 . . . . 0.0 111.787 169.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -60.34 -43.22 96.67 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.053 0.842 . . . . 0.0 112.092 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.52 -36.09 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.643 0.777 . . . . 0.0 111.754 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -63.93 -43.05 97.03 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.453 -0.779 . . . . 0.0 112.883 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.23 -33.17 71.89 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.054 -1.029 . . . . 0.0 112.672 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 -62.5 -20.35 64.51 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.979 0.912 . . . . 0.0 113.396 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -77.73 -23.36 49.4 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.571 1.148 . . . . 0.0 113.466 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -179.137 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 CA--C 1.54 0.581 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.89 141.89 48.63 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.013 0.925 . . . . 0.0 112.91 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.9 t -66.32 145.34 55.84 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.858 1.263 . . . . 0.0 112.057 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -87.87 -9.76 52.77 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.583 1.153 . . . . 0.0 112.659 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -120.96 -19.8 7.1 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.034 1.334 . . . . 0.0 114.13 -170.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.73 -173.8 4.31 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.304 1.442 . . . . 0.0 112.445 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 m -79.41 0.72 28.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.338 1.455 . . . . 0.0 114.632 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.98 143.15 58.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.43 1.092 . . . . 0.0 113.513 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -130.52 152.51 49.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.069 1.348 . . . . 0.0 111.765 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 t -139.78 159.09 42.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.238 1.415 . . . . 0.0 112.084 -171.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.8 mt -90.96 -4.42 56.49 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.921 1.288 . . . . 0.0 113.387 174.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.3 t -144.29 134.19 23.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.229 1.412 . . . . 0.0 111.998 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -64.92 -26.32 68.26 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.785 0.834 . . . . 0.0 113.179 171.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.22 -47.17 54.32 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.87 0.747 . . . . 0.0 112.132 174.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -70.78 -30.05 66.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.556 -0.967 . . . . 0.0 112.196 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.71 -38.77 92.12 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.11 -0.994 . . . . 0.0 112.092 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.92 -42.72 99.42 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.376 -0.828 . . . . 0.0 111.163 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.0 -41.07 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.003 0.82 . . . . 0.0 111.724 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -58.52 -49.51 77.13 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.136 0.88 . . . . 0.0 111.84 171.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.8 -47.92 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.106 -0.997 . . . . 0.0 111.433 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -67.95 -21.34 65.1 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -102.26 -34.52 9.2 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.73 -40.23 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.283 1.033 . . . . 0.0 112.154 -172.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 N--CA 1.473 0.703 0 C-N-CA 123.7 0.8 . . . . 0.0 112.846 -177.434 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 CA--C 1.539 0.555 0 CA-C-O 120.039 -0.029 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -136.14 135.73 39.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.705 0.802 . . . . 0.0 111.988 -171.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.5 t -71.12 133.11 45.98 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.2 1.4 . . . . 0.0 111.759 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -84.26 -9.17 58.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -105.21 -31.19 9.23 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.424 1.09 . . . . 0.0 113.767 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -134.5 7.15 3.56 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 m120 59.74 14.69 4.25 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.435 1.894 . . . . 0.0 115.968 174.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -65.69 151.53 46.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.557 1.143 . . . . 0.0 111.926 171.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.15 137.02 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.36 1.464 . . . . 0.0 110.881 -174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -135.53 148.19 49.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.465 1.906 . . . . 0.0 111.721 -172.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -77.11 -28.75 54.51 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -135.14 157.39 47.05 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.478 1.111 . . . . 0.0 113.024 -174.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -59.48 -42.12 91.35 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.818 1.247 . . . . 0.0 112.131 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -67.46 -32.89 74.05 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.405 0.682 . . . . 0.0 112.768 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 m -65.36 -45.76 82.86 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.619 0.768 . . . . 0.0 111.45 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.07 -45.58 84.74 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 122.082 -0.386 . . . . 0.0 111.779 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -60.35 -38.69 84.64 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.01 -1.056 . . . . 0.0 112.878 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.93 -29.72 63.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -68.8 -43.7 75.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.796 0.838 . . . . 0.0 112.264 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.6 mt -57.79 -19.07 25.63 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.592 1.157 . . . . 0.0 113.649 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -57.03 -21.25 29.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.827 1.251 . . . . 0.0 114.361 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 pt . . . . . 0 N--CA 1.476 0.852 0 CA-C-N 119.788 1.177 . . . . 0.0 113.436 176.246 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.533 0.46 0 N-CA-C 114.801 1.039 . . . . 0.0 114.801 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -84.8 90.48 7.76 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.876 0.87 . . . . 0.0 110.849 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.39 141.55 31.14 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.319 1.448 . . . . 0.0 112.397 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.9 t -72.19 132.82 83.98 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.439 1.096 . . . . 0.0 111.042 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -78.92 -8.09 15.53 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.428 2.752 . . . . 0.0 112.975 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -110.27 -29.82 7.98 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 p -145.87 179.76 7.24 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.062 1.301 . . . . 0.0 113.314 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -75.56 42.05 0.21 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.334 1.854 . . . . 0.0 113.64 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -110.33 141.91 42.71 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.625 1.97 . . . . 0.0 112.587 -176.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.34 154.65 41.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.256 1.022 . . . . 0.0 112.525 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 t -143.22 167.52 21.93 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.843 1.657 . . . . 0.0 112.825 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.96 0.91 44.95 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.683 1.593 . . . . 0.0 113.481 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.3 mt -133.5 130.93 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.612 1.165 . . . . 0.0 111.148 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -64.55 -41.17 96.5 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.577 1.151 . . . . 0.0 113.006 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.25 83.39 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.741 0.817 . . . . 0.0 112.438 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -66.79 -40.31 88.09 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.522 -0.736 . . . . 0.0 111.63 173.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.2 -35.78 81.91 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.819 0.736 . . . . 0.0 112.167 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -62.45 -43.27 99.21 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.568 1.076 . . . . 0.0 112.118 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.98 -32.6 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 121.394 -0.816 . . . . 0.0 111.897 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -69.16 -41.73 76.85 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.415 -0.803 . . . . 0.0 112.897 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.41 -31.56 72.75 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.544 -1.348 . . . . 0.0 112.309 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -63.04 -11.68 21.03 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 170.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -83.32 -22.32 32.95 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.861 1.264 . . . . 0.0 113.323 169.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 N--CA 1.472 0.646 0 C-N-CA 124.541 1.137 . . . . 0.0 113.912 -176.868 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.34 143.05 50.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.35 1.06 . . . . 0.0 112.897 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 39.5 t -65.01 143.5 57.9 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.1 1.36 . . . . 0.0 112.104 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -87.16 -9.4 55.34 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.575 1.15 . . . . 0.0 112.58 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -119.66 -21.42 7.31 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.135 1.374 . . . . 0.0 113.772 -170.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.76 -168.19 2.91 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.57 1.548 . . . . 0.0 112.255 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.9 p -85.04 -0.03 53.08 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.704 1.602 . . . . 0.0 114.808 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -62.85 145.63 54.6 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.575 1.15 . . . . 0.0 113.792 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.4 p -135.42 152.64 51.59 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.606 1.562 . . . . 0.0 111.882 173.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.6 t -145.24 156.28 43.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.498 1.119 . . . . 0.0 111.74 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.65 -9.12 59.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.375 1.07 . . . . 0.0 112.877 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.5 m -129.33 125.57 37.0 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.326 1.45 . . . . 0.0 111.946 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.85 -31.02 70.56 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.999 0.92 . . . . 0.0 113.002 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.51 -42.08 97.65 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.721 0.676 . . . . 0.0 112.818 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -68.87 -34.87 76.17 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.534 -0.98 . . . . 0.0 111.772 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.0 tp -63.04 -40.5 97.91 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.281 -0.887 . . . . 0.0 112.021 170.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -62.72 -40.91 98.66 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.175 -0.953 . . . . 0.0 111.382 173.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.87 -41.59 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.478 0.711 . . . . 0.0 111.815 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -57.8 -44.42 86.31 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.365 0.984 . . . . 0.0 111.721 171.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.68 -45.58 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 O-C-N 121.372 -0.83 . . . . 0.0 111.245 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -64.68 -34.17 77.68 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -85.76 -37.3 19.46 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.6 t -102.01 -34.85 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.114 0.966 . . . . 0.0 112.587 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -170.328 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 120.015 -0.041 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -136.31 135.51 38.98 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.684 0.793 . . . . 0.0 111.756 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.6 t -73.21 128.52 35.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.214 1.406 . . . . 0.0 111.28 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.34 -7.84 59.64 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -104.48 -31.81 9.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.39 1.076 . . . . 0.0 113.827 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.7 8.19 3.85 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.0 t30 58.4 20.18 7.13 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.443 1.897 . . . . 0.0 115.592 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -71.21 151.2 44.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.529 1.132 . . . . 0.0 111.794 171.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.65 137.5 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.287 1.435 . . . . 0.0 110.793 -175.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -135.67 148.57 48.98 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.452 1.901 . . . . 0.0 111.726 -172.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -77.49 -29.19 52.48 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -175.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -134.57 157.54 46.29 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.593 1.157 . . . . 0.0 113.08 -173.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -60.12 -42.46 94.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.564 1.145 . . . . 0.0 111.982 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -66.32 -32.11 73.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.419 0.688 . . . . 0.0 112.752 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.5 m -66.14 -45.88 79.46 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.659 0.784 . . . . 0.0 111.495 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.84 -42.7 90.17 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 122.011 -0.431 . . . . 0.0 112.014 173.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -61.6 -39.03 89.78 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.129 -0.982 . . . . 0.0 112.817 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.99 -32.79 67.57 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.681 -0.637 . . . . 0.0 112.685 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -67.11 -41.77 85.67 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.513 0.725 . . . . 0.0 112.551 171.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.8 mt -59.66 -15.68 21.05 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.942 1.297 . . . . 0.0 114.068 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -56.21 -22.52 29.8 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.938 1.295 . . . . 0.0 113.939 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 pt . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 176.009 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 CA--C 1.532 0.419 0 N-CA-C 115.788 1.418 . . . . 0.0 115.788 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -83.57 82.04 8.48 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.354 0.661 . . . . 0.0 111.4 -172.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.92 141.87 45.97 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.862 1.265 . . . . 0.0 111.731 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -72.06 135.81 82.43 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 124.798 1.239 . . . . 0.0 110.796 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.25 -9.34 17.67 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.618 2.879 . . . . 0.0 112.97 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -111.19 -27.95 8.48 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.3 p -141.45 -176.77 4.85 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 120.183 1.356 . . . . 0.0 112.833 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 p -73.1 0.46 11.48 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.04 143.93 57.34 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.642 1.577 . . . . 0.0 113.371 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.85 151.59 38.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.781 1.233 . . . . 0.0 111.858 169.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 t -132.84 161.91 32.93 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.219 1.408 . . . . 0.0 113.312 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.4 -4.75 56.83 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.071 1.348 . . . . 0.0 113.49 170.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.7 mt -132.23 129.69 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.49 1.116 . . . . 0.0 110.659 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -66.94 -38.21 85.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.917 0.887 . . . . 0.0 112.576 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.95 -31.45 72.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.116 0.966 . . . . 0.0 112.957 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.12 -41.46 73.9 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.369 -0.832 . . . . 0.0 111.445 172.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.5 -37.19 82.78 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.833 0.742 . . . . 0.0 111.927 171.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.0 -32.35 70.78 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.987 0.915 . . . . 0.0 112.539 175.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.9 t -84.4 -31.32 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.58 1.152 . . . . 0.0 112.198 173.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -65.3 -38.93 91.71 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.824 -1.172 . . . . 0.0 112.518 172.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.27 -30.5 71.16 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.805 -1.184 . . . . 0.0 112.681 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -65.59 -9.89 30.7 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 172.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -83.4 -19.62 35.69 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.73 1.212 . . . . 0.0 112.574 168.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 126.239 1.816 . . . . 0.0 114.138 -178.399 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.95 142.85 50.36 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -170.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.1 t -67.05 143.44 56.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.15 1.38 . . . . 0.0 112.19 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -88.39 -9.5 52.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.671 1.188 . . . . 0.0 112.502 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -118.88 -20.44 8.17 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.147 1.379 . . . . 0.0 113.872 -169.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.6 p -148.25 -169.33 3.32 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.565 1.546 . . . . 0.0 112.232 174.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -82.5 0.74 41.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.434 1.494 . . . . 0.0 114.701 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -62.8 143.44 57.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.255 1.022 . . . . 0.0 113.742 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.1 p -138.01 150.8 47.29 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.23 1.412 . . . . 0.0 111.783 169.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.8 t -145.36 164.26 32.03 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.354 1.062 . . . . 0.0 111.96 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.55 5.58 34.89 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.048 1.339 . . . . 0.0 114.236 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 p -140.71 147.93 39.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.814 0.846 . . . . 0.0 112.968 170.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.75 -30.7 69.37 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.171 0.988 . . . . 0.0 112.003 174.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.09 -46.64 90.66 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.155 0.883 . . . . 0.0 112.828 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -67.63 -33.72 75.54 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.183 0.992 . . . . 0.0 111.588 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.3 tp -66.23 -41.16 90.45 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.454 -0.779 . . . . 0.0 112.178 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.87 -44.62 94.07 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.511 0.724 . . . . 0.0 111.117 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.8 t -61.82 -44.46 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 118.835 -0.602 . . . . 0.0 111.296 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -56.29 -48.29 76.92 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.568 1.076 . . . . 0.0 111.826 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.55 -45.94 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 121.421 -0.8 . . . . 0.0 111.267 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -71.39 -25.16 62.23 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -95.63 -33.96 12.17 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.74 -39.98 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.921 0.888 . . . . 0.0 112.375 -174.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -171.649 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.7 m -130.61 136.41 48.84 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.699 0.8 . . . . 0.0 112.408 -169.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -71.05 130.6 41.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.26 1.424 . . . . 0.0 111.598 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.69 -7.63 59.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -106.62 -31.72 8.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.48 1.112 . . . . 0.0 113.884 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 p -133.05 6.57 3.92 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.7 15.5 4.78 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.374 1.87 . . . . 0.0 115.803 175.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -64.01 148.34 49.92 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.445 1.098 . . . . 0.0 111.762 170.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.8 t -118.25 136.11 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.343 1.457 . . . . 0.0 110.718 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -132.62 145.2 50.9 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.519 1.928 . . . . 0.0 110.997 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -79.56 -17.91 52.92 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -138.85 148.4 43.66 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.239 1.416 . . . . 0.0 111.725 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -65.3 -36.85 85.33 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -63.33 -33.24 75.1 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 m -67.15 -41.16 86.5 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.574 0.749 . . . . 0.0 111.553 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -67.06 -44.39 80.24 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 122.071 -0.393 . . . . 0.0 111.81 173.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -58.79 -41.91 87.8 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.225 0.92 . . . . 0.0 112.239 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.12 -30.69 63.81 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -68.17 -44.44 75.93 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.326 0.65 . . . . 0.0 111.9 172.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.93 -23.35 53.06 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.6 1.16 . . . . 0.0 113.749 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -50.64 -34.49 26.46 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.173 0.989 . . . . 0.0 113.597 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -179.548 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 CA--C 1.534 0.481 0 N-CA-C 114.632 0.974 . . . . 0.0 114.632 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.79 90.73 6.66 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.304 0.642 . . . . 0.0 110.787 -172.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -96.91 137.6 35.75 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.218 1.407 . . . . 0.0 112.61 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -74.97 126.67 87.97 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 126.182 1.793 . . . . 0.0 110.596 173.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.57 -6.89 17.4 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.042 2.495 . . . . 0.0 113.103 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -111.81 -22.17 11.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -170.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.5 p -140.18 10.4 2.34 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m 60.34 14.55 4.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.805 1.642 . . . . 0.0 115.324 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.6 152.61 21.78 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.074 1.75 . . . . 0.0 110.419 168.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.18 150.36 40.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.1 t -139.22 159.72 41.49 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.529 1.532 . . . . 0.0 113.035 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.09 -3.86 58.52 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.316 1.447 . . . . 0.0 113.44 170.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.5 mt -126.86 129.15 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.954 1.302 . . . . 0.0 110.646 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -65.57 -43.03 91.05 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.143 0.977 . . . . 0.0 112.665 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.15 72.09 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.892 0.877 . . . . 0.0 112.832 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -66.93 -41.91 86.2 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.234 -0.916 . . . . 0.0 111.423 173.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.89 -38.31 90.62 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.747 0.703 . . . . 0.0 111.644 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.8 -37.38 78.95 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.739 0.816 . . . . 0.0 112.353 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -77.07 -35.66 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.19 0.996 . . . . 0.0 111.971 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -63.4 -39.28 94.08 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.997 -1.064 . . . . 0.0 113.117 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.7 mt -62.94 -28.89 70.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.938 -1.101 . . . . 0.0 112.815 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -61.99 -17.92 58.75 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 171.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -75.96 -24.55 55.45 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.352 0.978 . . . . 0.0 112.63 171.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 CA--C 1.542 0.638 0 C-N-CA 125.239 1.415 . . . . 0.0 112.119 178.894 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.73 141.91 51.28 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.005 0.82 . . . . 0.0 113.076 -172.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.24 145.43 56.01 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.206 1.403 . . . . 0.0 112.341 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -86.83 -9.62 55.37 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.601 1.16 . . . . 0.0 112.634 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -121.9 -21.98 5.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.935 1.294 . . . . 0.0 114.15 -171.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.0 p -143.14 -171.7 3.53 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.262 1.425 . . . . 0.0 112.461 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.1 p -82.87 1.26 40.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.689 1.596 . . . . 0.0 114.729 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -62.62 139.86 58.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.499 1.12 . . . . 0.0 113.637 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -123.22 148.09 46.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.929 1.691 . . . . 0.0 111.614 170.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.4 t -136.51 153.99 50.86 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.304 1.442 . . . . 0.0 112.07 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.59 -7.47 59.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.268 1.427 . . . . 0.0 112.923 174.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -142.13 133.67 26.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.209 1.404 . . . . 0.0 112.114 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -65.29 -27.39 68.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.002 0.921 . . . . 0.0 112.989 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.32 -46.89 46.92 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.019 0.819 . . . . 0.0 112.049 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -69.78 -30.21 67.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.814 -0.815 . . . . 0.0 112.121 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.45 -39.48 93.89 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.262 -0.898 . . . . 0.0 112.285 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.63 -40.7 95.8 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.34 -0.85 . . . . 0.0 111.394 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 90.1 t -62.74 -43.34 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.617 0.767 . . . . 0.0 111.687 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -57.17 -47.99 79.84 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.094 0.861 . . . . 0.0 111.608 172.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.21 -50.97 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 121.612 -0.68 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -59.55 -39.81 85.2 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.989 0.915 . . . . 0.0 113.038 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -85.3 -36.54 20.78 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.5 t -95.45 -35.62 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.563 0.745 . . . . 0.0 112.452 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -170.426 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.4 m -129.17 135.61 49.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.441 0.696 . . . . 0.0 112.547 -169.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -73.53 128.76 36.38 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.24 1.416 . . . . 0.0 111.245 174.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.09 -8.81 59.58 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -103.97 -31.22 9.83 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -174.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.91 3.35 3.47 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 60.9 17.73 8.09 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.286 1.834 . . . . 0.0 115.698 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -63.45 149.41 46.1 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.04 -1.038 . . . . 0.0 111.273 168.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -123.6 138.64 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.135 1.374 . . . . 0.0 111.102 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -134.62 151.06 50.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.172 2.189 . . . . 0.0 110.976 -172.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -80.13 -27.73 39.05 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.298 1.039 . . . . 0.0 113.4 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -129.06 150.9 50.27 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.721 1.208 . . . . 0.0 112.642 -173.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.95 -41.18 97.69 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.341 1.057 . . . . 0.0 112.38 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -64.14 -33.61 76.17 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 m -66.91 -42.65 85.08 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.505 0.722 . . . . 0.0 111.721 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.4 tp -67.51 -44.32 78.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.658 0.383 . . . . 0.0 111.659 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -59.65 -40.46 87.78 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.171 0.896 . . . . 0.0 112.504 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.99 -31.89 64.8 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.29 -43.62 81.27 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.74 -0.6 . . . . 0.0 112.084 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.1 mt -59.27 -22.03 60.52 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.501 1.12 . . . . 0.0 113.934 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -52.0 -29.6 21.49 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.728 1.211 . . . . 0.0 113.985 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 pt . . . . . 0 N--CA 1.471 0.591 0 CA-C-N 118.467 0.576 . . . . 0.0 111.766 178.758 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo . . . . . 0 CA--C 1.531 0.366 0 N-CA-C 114.823 1.047 . . . . 0.0 114.823 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -83.81 74.82 10.15 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.951 0.881 . . . . 0.0 111.345 -173.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -77.4 143.11 38.9 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.728 2.011 . . . . 0.0 111.673 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.0 t -73.14 136.17 79.39 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.36 1.064 . . . . 0.0 111.103 173.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.23 -9.22 21.7 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.385 2.723 . . . . 0.0 113.145 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -118.72 -23.76 6.92 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.6 p -145.03 -172.27 3.81 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 120.435 1.471 . . . . 0.0 112.967 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.1 p -73.94 -4.48 35.42 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -55.8 139.63 44.83 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.0 1.32 . . . . 0.0 113.173 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.15 151.31 36.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.184 1.394 . . . . 0.0 111.279 168.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t -145.45 172.59 12.98 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.239 1.015 . . . . 0.0 113.247 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.49 0.1 44.46 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.131 1.772 . . . . 0.0 113.692 175.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.3 mt -129.98 128.9 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.074 1.35 . . . . 0.0 110.317 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -66.86 -37.74 85.02 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.372 1.069 . . . . 0.0 112.99 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.89 74.4 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.471 0.708 . . . . 0.0 112.472 173.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -69.61 -39.37 77.25 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.36 -0.837 . . . . 0.0 111.302 175.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.29 -38.13 85.67 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.741 -0.599 . . . . 0.0 112.105 170.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -63.28 -44.12 95.97 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.662 1.119 . . . . 0.0 112.09 173.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.17 -23.98 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.675 1.19 . . . . 0.0 112.523 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -78.18 -43.83 27.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.48 1.112 . . . . 0.0 113.193 169.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.04 -31.2 70.84 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.746 -1.221 . . . . 0.0 112.401 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 mtp-105 -58.62 -15.53 12.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.789 1.236 . . . . 0.0 114.248 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -91.98 -14.21 29.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.682 1.593 . . . . 0.0 113.823 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 124.572 1.149 . . . . 0.0 111.815 173.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.72 141.45 47.24 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.396 1.078 . . . . 0.0 113.855 -169.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 t -68.59 143.62 54.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.09 1.356 . . . . 0.0 112.19 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.41 -8.47 50.52 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.749 1.22 . . . . 0.0 112.423 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -117.37 -22.13 8.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.254 1.422 . . . . 0.0 113.461 -169.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -146.12 -168.16 2.92 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.923 1.689 . . . . 0.0 112.236 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.9 p -84.61 1.07 47.8 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.8 1.64 . . . . 0.0 114.897 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.66 138.74 58.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.299 1.04 . . . . 0.0 113.42 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.1 p -139.55 142.63 37.19 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.201 1.4 . . . . 0.0 111.127 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.4 t -141.38 159.0 43.13 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.13 0.972 . . . . 0.0 113.009 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.55 -12.1 60.38 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.961 1.304 . . . . 0.0 113.164 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.3 t -125.24 131.92 53.04 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.141 1.376 . . . . 0.0 112.423 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -69.01 -30.69 69.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.727 1.211 . . . . 0.0 112.038 172.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.64 -43.37 85.57 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 123.879 0.752 . . . . 0.0 112.179 172.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.44 -35.51 81.17 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.684 -0.892 . . . . 0.0 111.51 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.02 -43.68 91.64 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.415 -0.803 . . . . 0.0 111.898 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -59.13 -42.54 90.86 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.659 -0.65 . . . . 0.0 111.328 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.73 -42.29 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.329 1.052 . . . . 0.0 111.854 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -57.28 -46.96 82.6 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.112 0.869 . . . . 0.0 111.434 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.82 -48.07 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 121.477 -0.764 . . . . 0.0 110.682 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -59.84 -33.49 71.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.552 1.141 . . . . 0.0 113.927 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -96.02 -35.76 11.27 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -174.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.5 t -97.07 -37.1 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.991 0.916 . . . . 0.0 112.431 -171.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.473 0.71 0 C-N-CA 123.701 0.8 . . . . 0.0 113.127 -173.79 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.1 m -136.03 137.83 41.57 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.693 0.797 . . . . 0.0 112.384 -169.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.5 t -69.01 133.71 48.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.722 1.609 . . . . 0.0 111.942 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.43 -9.25 58.56 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.48 -31.11 9.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.414 1.086 . . . . 0.0 113.868 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -136.19 3.65 2.89 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.13 15.77 6.58 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -62.92 146.42 52.98 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.945 -1.097 . . . . 0.0 111.6 169.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -115.72 137.73 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.574 1.55 . . . . 0.0 110.927 -172.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -134.76 149.26 50.4 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.326 1.85 . . . . 0.0 111.895 -172.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -71.94 -29.35 64.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.433 1.093 . . . . 0.0 113.622 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -140.38 152.75 46.01 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.686 1.194 . . . . 0.0 111.982 -169.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -66.69 -35.92 81.29 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -66.54 -35.49 80.36 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.693 0.679 . . . . 0.0 112.212 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 m -64.09 -42.23 97.01 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.503 0.721 . . . . 0.0 111.798 173.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.41 -44.73 86.52 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.898 -0.501 . . . . 0.0 111.969 172.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -58.49 -39.66 80.61 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.949 -1.094 . . . . 0.0 112.396 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.33 -30.22 65.94 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -69.73 -44.31 70.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.494 0.717 . . . . 0.0 112.053 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.58 -18.38 29.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.888 1.275 . . . . 0.0 113.654 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -52.96 -33.76 52.56 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.968 0.907 . . . . 0.0 113.318 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 pt . . . . . 0 N--CA 1.477 0.877 0 CA-C-N 119.595 1.089 . . . . 0.0 113.107 179.623 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo . . . . . 0 CA--C 1.535 0.556 0 N-CA-C 115.488 1.303 . . . . 0.0 115.488 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -88.62 79.94 7.43 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.967 0.889 . . . . 0.0 111.072 -172.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -84.32 143.7 29.34 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.304 1.842 . . . . 0.0 111.787 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.98 135.62 80.22 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 124.31 1.044 . . . . 0.0 111.417 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -74.87 -13.02 21.82 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.408 2.739 . . . . 0.0 112.657 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -111.02 -27.32 8.82 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -173.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -143.24 -174.35 4.18 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 120.819 1.645 . . . . 0.0 113.242 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.2 p -73.16 -2.32 21.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.229 1.412 . . . . 0.0 114.404 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -61.02 140.79 57.75 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.521 1.528 . . . . 0.0 113.373 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.36 150.85 35.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.96 1.304 . . . . 0.0 111.473 168.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.5 t -137.34 160.33 39.38 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.43 1.092 . . . . 0.0 112.412 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.09 -4.94 58.88 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.085 0.954 . . . . 0.0 112.873 174.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -126.98 133.47 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.193 1.797 . . . . 0.0 110.36 -174.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.78 -38.09 82.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.158 0.983 . . . . 0.0 113.028 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.27 74.36 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.817 0.847 . . . . 0.0 112.798 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -66.28 -42.19 88.79 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.483 -0.761 . . . . 0.0 111.292 175.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.0 tp -63.87 -41.62 97.72 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.713 -0.617 . . . . 0.0 111.794 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -59.53 -38.89 82.2 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.762 -0.586 . . . . 0.0 112.399 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.4 t -72.48 -39.83 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.962 0.905 . . . . 0.0 111.652 173.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -62.43 -39.21 92.58 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.258 -0.901 . . . . 0.0 113.403 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.5 mt -60.09 -30.16 69.06 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.97 -1.081 . . . . 0.0 113.023 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -62.68 -19.45 63.87 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.253 1.021 . . . . 0.0 113.373 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -75.66 -26.8 57.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.507 1.123 . . . . 0.0 112.668 174.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 . . . . . 0 CA--C 1.551 1.009 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -177.156 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 CA--C 1.545 0.75 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.32 141.27 46.86 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.23 142.33 56.98 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.649 1.18 . . . . 0.0 111.378 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -90.36 -6.11 55.41 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.483 1.113 . . . . 0.0 112.562 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -119.56 -21.63 7.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.004 1.322 . . . . 0.0 113.772 -169.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.5 p -145.65 -170.5 3.47 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.854 1.662 . . . . 0.0 112.234 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.2 p -80.77 -0.51 38.93 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.212 1.405 . . . . 0.0 114.776 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -63.8 141.67 58.68 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.5 p -131.52 151.7 51.36 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.37 1.468 . . . . 0.0 111.086 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.8 t -140.74 159.28 42.54 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.094 1.357 . . . . 0.0 111.378 -170.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 tp -102.7 9.05 39.4 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.67 1.188 . . . . 0.0 113.782 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.3 t -142.76 128.62 19.44 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.822 1.649 . . . . 0.0 110.975 173.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -67.55 -31.35 71.37 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.955 0.902 . . . . 0.0 112.164 176.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.59 -45.86 81.34 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.905 0.764 . . . . 0.0 112.349 174.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -68.09 -34.21 75.99 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.821 -0.811 . . . . 0.0 112.13 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.13 -40.77 96.9 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.453 -0.78 . . . . 0.0 112.099 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.93 -43.23 95.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.935 0.789 . . . . 0.0 111.118 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.4 -41.24 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.455 0.702 . . . . 0.0 111.772 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -57.58 -47.19 82.8 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.395 0.998 . . . . 0.0 111.416 171.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.69 -44.93 99.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.476 0.71 . . . . 0.0 111.206 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.69 -43.39 93.66 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.83 -33.49 30.67 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -174.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 t -99.66 -36.63 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.802 0.841 . . . . 0.0 112.54 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -169.257 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 111.183 0.068 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.1 m -136.13 135.76 39.52 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.668 0.787 . . . . 0.0 111.939 -169.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -72.14 129.87 39.5 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.212 1.405 . . . . 0.0 111.228 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -84.31 -6.19 59.36 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.96 -31.79 8.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.471 1.108 . . . . 0.0 113.761 -174.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.79 10.45 3.96 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 59.7 14.18 3.91 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.904 2.082 . . . . 0.0 115.875 175.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -67.54 149.9 49.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.788 1.235 . . . . 0.0 112.261 174.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -118.11 137.03 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.416 1.486 . . . . 0.0 110.791 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -134.82 144.7 47.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.571 1.948 . . . . 0.0 111.31 -173.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -73.49 -29.18 62.34 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -134.54 153.89 51.72 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.954 1.302 . . . . 0.0 112.588 -173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -63.97 -37.91 89.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.623 0.769 . . . . 0.0 112.469 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -64.43 -32.0 73.44 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 m -68.81 -42.29 77.48 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.387 0.675 . . . . 0.0 111.643 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.22 -42.46 88.67 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.972 -0.455 . . . . 0.0 111.751 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.8 -38.82 86.63 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.881 0.873 . . . . 0.0 112.639 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.73 -32.46 63.87 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -67.74 -41.3 83.66 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.532 0.733 . . . . 0.0 112.322 173.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.49 -15.99 21.33 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.908 1.283 . . . . 0.0 114.041 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -61.6 -16.15 45.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.003 1.321 . . . . 0.0 114.234 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 124.415 1.086 . . . . 0.0 113.309 173.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 CA--C 1.534 0.504 0 N-CA-C 114.649 0.98 . . . . 0.0 114.649 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -85.47 81.68 8.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.948 0.88 . . . . 0.0 111.115 -172.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -88.1 138.14 31.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.647 1.579 . . . . 0.0 112.133 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -69.4 135.2 88.73 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.611 1.164 . . . . 0.0 111.452 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -79.27 -9.07 15.21 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.449 2.766 . . . . 0.0 113.251 172.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -115.57 -21.92 9.49 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -171.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.8 p -144.53 -171.7 3.65 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.951 1.251 . . . . 0.0 111.789 172.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 p -71.85 -11.16 60.67 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -50.84 141.49 13.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.537 1.935 . . . . 0.0 114.189 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.84 146.28 30.16 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.656 1.182 . . . . 0.0 111.76 169.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.9 p -136.96 168.6 19.27 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.654 1.182 . . . . 0.0 113.669 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.19 1.23 44.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.144 1.378 . . . . 0.0 113.705 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.0 mt -133.97 124.46 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.484 1.514 . . . . 0.0 109.797 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.04 -36.93 85.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.466 1.107 . . . . 0.0 112.7 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.24 69.16 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.08 0.952 . . . . 0.0 113.098 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -76.9 -40.74 46.3 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.398 -0.814 . . . . 0.0 110.998 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.8 tp -60.73 -39.46 88.7 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.396 -0.815 . . . . 0.0 111.68 170.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -59.32 -34.54 72.46 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.488 1.115 . . . . 0.0 113.006 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.6 t -83.01 -32.55 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.15 0.98 . . . . 0.0 112.026 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -63.1 -41.09 99.31 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.075 -1.015 . . . . 0.0 112.62 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.32 -31.35 71.21 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.883 -1.136 . . . . 0.0 112.612 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -67.18 -10.55 51.59 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -85.18 -16.99 38.51 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.816 1.246 . . . . 0.0 113.33 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 . . . . . 0 CA--C 1.547 0.827 0 C-N-CA 125.304 1.442 . . . . 0.0 112.511 178.459 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.21 142.46 50.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.294 1.038 . . . . 0.0 113.422 -171.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.5 144.74 56.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.085 1.354 . . . . 0.0 112.14 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -87.24 -9.71 54.37 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.485 1.114 . . . . 0.0 112.565 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -122.51 -17.06 7.11 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.865 1.266 . . . . 0.0 114.331 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.7 p -148.58 -171.3 3.82 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.339 1.456 . . . . 0.0 112.166 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 m -81.8 1.03 36.6 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.273 1.429 . . . . 0.0 114.607 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.95 143.96 57.24 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.401 1.08 . . . . 0.0 113.696 -176.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.7 p -137.57 148.63 46.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.102 1.361 . . . . 0.0 111.713 171.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.441 ' HG ' ' CG ' ' A' ' 79' ' ' HIS . 11.8 t -145.7 157.98 43.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.314 1.046 . . . . 0.0 112.027 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mp -83.03 9.03 11.14 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.202 1.401 . . . . 0.0 113.441 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 t -141.09 132.52 26.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.397 1.479 . . . . 0.0 111.355 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -68.63 -26.49 65.37 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.525 0.73 . . . . 0.0 112.728 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.2 -44.14 61.13 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 123.92 0.772 . . . . 0.0 112.004 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.441 ' CG ' ' HG ' ' A' ' 74' ' ' CYS . 2.5 t-80 -66.18 -34.72 78.68 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.876 -0.779 . . . . 0.0 111.567 173.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.59 -40.88 93.19 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.449 -0.782 . . . . 0.0 112.203 172.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -59.17 -44.25 92.15 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.79 0.723 . . . . 0.0 110.977 173.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.47 -40.75 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.849 0.859 . . . . 0.0 111.894 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -58.47 -47.57 83.6 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.442 1.019 . . . . 0.0 111.556 171.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.44 -47.01 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.611 -0.68 . . . . 0.0 110.695 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.11 -35.82 79.88 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.218 1.007 . . . . 0.0 113.328 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -85.12 -36.19 21.28 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.08 -36.3 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.139 0.976 . . . . 0.0 112.891 -170.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -170.068 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.7 m -134.92 134.98 41.19 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.951 0.796 . . . . 0.0 112.544 -169.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.6 t -77.5 124.9 28.51 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.826 1.65 . . . . 0.0 110.893 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -81.5 -7.09 59.53 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -97.74 -30.74 12.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.091 0.956 . . . . 0.0 113.574 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.9 p -135.83 9.56 3.33 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.2 t30 58.21 23.57 10.43 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.239 1.815 . . . . 0.0 115.195 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -76.78 152.24 35.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.532 1.133 . . . . 0.0 111.692 172.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.0 t -121.86 137.81 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.234 1.414 . . . . 0.0 110.741 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -132.89 150.68 52.14 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.042 2.137 . . . . 0.0 111.35 -172.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -82.78 -18.95 38.81 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.721 1.209 . . . . 0.0 113.947 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -141.44 154.22 45.45 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.346 1.058 . . . . 0.0 112.844 -173.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -61.82 -44.22 97.28 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.59 1.156 . . . . 0.0 112.384 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -64.57 -35.65 81.67 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.318 0.647 . . . . 0.0 112.275 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -63.62 -44.23 94.54 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.353 0.661 . . . . 0.0 111.936 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.2 tp -65.95 -45.66 80.96 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.382 0.537 . . . . 0.0 111.827 172.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -60.94 -39.19 88.5 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.32 0.964 . . . . 0.0 112.964 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.51 -33.53 66.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.312 0.645 . . . . 0.0 112.67 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -65.02 -43.92 90.88 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.413 0.685 . . . . 0.0 112.107 172.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.54 -23.89 52.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.429 1.092 . . . . 0.0 113.772 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -53.41 -30.32 39.58 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.603 1.161 . . . . 0.0 113.614 175.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 pt . . . . . 0 N--CA 1.473 0.723 0 CA-C-N 118.945 0.793 . . . . 0.0 112.949 178.265 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo . . . . . 0 CA--C 1.532 0.413 0 N-CA-C 115.713 1.389 . . . . 0.0 115.713 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -87.31 82.84 7.47 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.981 0.912 . . . . 0.0 111.921 -173.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.52 143.95 42.22 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.121 1.368 . . . . 0.0 111.562 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.8 t -73.27 136.67 78.67 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 124.42 1.088 . . . . 0.0 111.024 169.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -74.78 -9.4 21.06 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.441 2.76 . . . . 0.0 113.339 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -117.14 -24.52 7.48 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 -172.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.8 p -146.16 -175.06 4.61 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.289 1.404 . . . . 0.0 113.381 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -71.75 -1.78 15.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.498 1.519 . . . . 0.0 114.671 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -59.49 139.63 56.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.39 1.476 . . . . 0.0 112.89 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.02 146.24 28.83 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.817 1.247 . . . . 0.0 111.326 168.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -143.09 176.65 8.95 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.247 1.019 . . . . 0.0 113.44 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.25 0.11 36.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.116 1.767 . . . . 0.0 114.115 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.4 mt -134.02 129.73 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.69 1.196 . . . . 0.0 110.425 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -63.57 -38.23 90.32 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.611 1.165 . . . . 0.0 112.838 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.59 76.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.715 0.806 . . . . 0.0 112.712 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.86 -40.22 75.88 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.313 -0.867 . . . . 0.0 111.143 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.6 -39.27 90.62 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.144 0.578 . . . . 0.0 111.883 169.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -61.85 -41.54 97.95 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.074 -1.016 . . . . 0.0 112.351 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.5 t -68.81 -34.45 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.475 -0.765 . . . . 0.0 111.831 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -65.32 -41.96 93.47 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.324 -0.86 . . . . 0.0 112.884 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.8 -33.28 72.75 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.995 -1.065 . . . . 0.0 112.499 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -61.78 -17.1 54.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 172.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -83.6 -16.64 44.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.933 1.293 . . . . 0.0 113.642 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 124.449 1.1 . . . . 0.0 111.48 175.076 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.87 142.91 50.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.237 1.015 . . . . 0.0 113.182 -173.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -64.69 143.86 57.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.999 1.32 . . . . 0.0 111.832 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -86.84 -8.48 57.27 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.402 1.081 . . . . 0.0 112.637 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -123.1 -19.45 6.04 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.923 1.289 . . . . 0.0 114.22 -170.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.41 -171.63 3.78 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.379 1.472 . . . . 0.0 112.372 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.9 m -81.11 0.17 37.35 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.307 1.443 . . . . 0.0 114.632 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.79 145.31 56.02 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.338 1.055 . . . . 0.0 113.836 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.5 p -137.24 152.38 49.77 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.238 1.415 . . . . 0.0 111.816 171.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.7 t -145.59 154.63 42.36 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.335 1.054 . . . . 0.0 111.638 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mp -77.88 -4.83 48.71 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.22 1.008 . . . . 0.0 112.881 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.2 t -123.5 127.32 48.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.579 1.552 . . . . 0.0 111.752 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -67.52 -30.47 70.14 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.436 1.095 . . . . 0.0 111.947 172.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.42 -45.13 81.34 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.967 0.794 . . . . 0.0 112.367 174.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -67.18 -36.09 81.04 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.635 -0.921 . . . . 0.0 111.716 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.0 -38.4 90.94 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.509 -0.744 . . . . 0.0 112.311 172.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.59 -46.02 91.79 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.846 171.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.1 t -58.47 -42.53 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 119.667 1.122 . . . . 0.0 111.532 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -56.66 -47.48 79.7 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.078 0.854 . . . . 0.0 112.022 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.04 -48.04 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.106 -0.997 . . . . 0.0 111.367 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.09 -35.47 73.45 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.385 1.474 . . . . 0.0 112.782 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -91.66 -36.41 13.65 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.5 -36.61 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 118.911 0.778 . . . . 0.0 113.069 -170.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.208 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m -132.68 135.69 45.96 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.738 0.815 . . . . 0.0 112.172 -170.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.27 130.93 40.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.178 1.391 . . . . 0.0 111.649 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.19 -10.32 59.64 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -102.03 -30.7 11.03 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -174.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 p -135.03 3.83 3.2 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 59.43 20.68 9.04 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.245 1.818 . . . . 0.0 115.466 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -68.56 151.91 46.11 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.001 -1.062 . . . . 0.0 111.581 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.16 137.64 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.39 1.476 . . . . 0.0 111.014 -174.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -135.91 148.89 48.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.612 1.965 . . . . 0.0 111.429 -171.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -82.17 -19.67 39.44 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 -176.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -138.04 153.16 49.38 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.622 1.169 . . . . 0.0 112.813 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.56 -41.91 95.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.518 1.127 . . . . 0.0 112.152 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -66.02 -32.57 74.12 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.6 m -67.99 -42.4 80.81 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.318 0.647 . . . . 0.0 111.705 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.81 -45.73 81.23 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.265 0.484 . . . . 0.0 111.556 172.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -59.98 -38.47 82.66 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.267 -0.896 . . . . 0.0 112.776 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.42 64.65 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -66.83 -43.48 83.62 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.571 -0.706 . . . . 0.0 112.33 172.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.9 mt -57.57 -21.09 36.6 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.496 1.118 . . . . 0.0 113.558 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.33 -25.38 34.38 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.385 1.474 . . . . 0.0 114.24 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.5 pt . . . . . 0 N--CA 1.475 0.802 0 CA-C-N 119.206 0.912 . . . . 0.0 112.629 176.788 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 CA--C 1.531 0.373 0 N-CA-C 114.465 0.91 . . . . 0.0 114.465 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -90.06 74.3 7.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 122.287 1.041 . . . . 0.0 110.72 -169.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -78.42 142.59 37.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.979 1.712 . . . . 0.0 111.16 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -70.88 136.15 85.3 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 124.01 0.924 . . . . 0.0 111.128 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.87 -9.9 21.17 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.373 2.715 . . . . 0.0 113.127 173.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -113.74 -27.97 7.61 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.0 p -144.16 -173.69 4.08 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.259 1.391 . . . . 0.0 113.402 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 p -74.85 -1.18 21.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.479 1.512 . . . . 0.0 114.808 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.85 142.41 50.59 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.792 1.637 . . . . 0.0 113.258 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.57 152.36 37.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.068 1.347 . . . . 0.0 112.151 168.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -146.55 167.03 24.71 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.979 0.911 . . . . 0.0 113.205 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.21 0.86 48.97 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.059 1.744 . . . . 0.0 113.308 172.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.39 126.12 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.089 1.355 . . . . 0.0 110.12 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -65.12 -40.55 94.64 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.033 0.933 . . . . 0.0 112.805 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.8 -28.74 69.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.857 0.863 . . . . 0.0 112.737 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -69.9 -43.44 71.74 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.481 -0.762 . . . . 0.0 110.746 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.36 -35.52 79.38 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.751 -0.593 . . . . 0.0 111.925 169.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -61.13 -47.66 85.19 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.632 1.106 . . . . 0.0 111.859 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.36 -33.06 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.092 0.957 . . . . 0.0 111.843 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.09 -44.29 76.58 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.371 -0.831 . . . . 0.0 112.913 173.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.9 mt -64.15 -29.85 70.95 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.603 -1.311 . . . . 0.0 112.578 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -61.65 -16.12 45.82 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 170.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -80.75 -34.43 34.35 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.24 1.016 . . . . 0.0 112.504 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 N--CA 1.471 0.614 0 C-N-CA 124.829 1.252 . . . . 0.0 113.717 179.434 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.72 139.72 51.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.076 0.95 . . . . 0.0 113.19 -170.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.4 t -68.61 144.97 54.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.91 1.284 . . . . 0.0 112.336 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.6 -9.46 49.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.672 1.189 . . . . 0.0 112.433 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -117.72 -22.26 8.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.265 1.426 . . . . 0.0 113.598 -170.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.1 p -146.43 -172.42 3.95 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.857 1.663 . . . . 0.0 112.316 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 m -82.19 2.46 31.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.278 1.431 . . . . 0.0 114.619 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.93 138.15 58.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.548 1.139 . . . . 0.0 113.456 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.1 p -138.74 140.56 38.73 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.056 1.343 . . . . 0.0 111.628 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.6 p -144.66 169.8 17.3 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.68 1.192 . . . . 0.0 113.016 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mp -86.77 -10.12 54.31 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -175.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.2 m -137.81 124.57 21.1 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.235 1.014 . . . . 0.0 112.459 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -62.96 -30.01 71.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.134 0.974 . . . . 0.0 113.333 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.1 -34.3 89.56 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 123.702 0.667 . . . . 0.0 113.455 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -75.3 -31.89 60.8 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.094 0.947 . . . . 0.0 111.909 173.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.45 -43.17 91.19 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.521 -0.737 . . . . 0.0 112.267 171.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -56.65 -45.21 81.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.455 1.102 . . . . 0.0 111.789 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 p -79.08 -25.44 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -60.28 -45.19 94.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.397 -1.44 . . . . 0.0 110.603 167.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.26 -46.11 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.029 0.532 . . . . 0.0 110.588 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.81 -36.21 81.84 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -73.78 -41.29 62.62 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.3 t -102.67 -33.87 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -168.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -168.336 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.3 m -131.69 134.76 46.28 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.576 -0.702 . . . . 0.0 112.2 -169.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.71 129.04 37.31 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.026 1.33 . . . . 0.0 111.314 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.58 -8.33 59.7 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -104.6 -31.49 9.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.435 1.094 . . . . 0.0 113.886 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 p -133.57 7.9 3.87 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.6 t30 58.15 20.06 6.68 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.438 1.895 . . . . 0.0 115.525 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -70.09 150.18 46.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.592 1.157 . . . . 0.0 111.738 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -118.97 136.46 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.21 1.404 . . . . 0.0 110.663 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -132.67 146.37 51.82 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.795 2.038 . . . . 0.0 110.863 -174.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -82.72 -13.23 56.72 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -142.05 150.84 41.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.674 1.19 . . . . 0.0 112.299 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -63.71 -42.67 97.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.281 1.032 . . . . 0.0 112.48 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -64.37 -34.97 79.38 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.361 0.664 . . . . 0.0 112.4 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -64.55 -42.33 95.75 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.33 0.652 . . . . 0.0 112.066 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.8 tp -67.16 -45.4 77.11 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.301 0.501 . . . . 0.0 111.736 172.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -60.1 -38.76 83.93 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.396 0.998 . . . . 0.0 112.739 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.05 -27.86 61.13 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -70.66 -43.42 69.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.046 0.939 . . . . 0.0 112.084 170.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.28 -20.34 41.76 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.603 1.161 . . . . 0.0 113.785 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 mtp-105 -49.28 -28.55 4.86 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.334 1.454 . . . . 0.0 114.438 170.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 pt . . . . . 0 N--CA 1.476 0.83 0 CA-C-N 119.658 1.117 . . . . 0.0 113.629 179.269 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo . . . . . 0 CA--C 1.532 0.414 0 N-CA-C 114.707 1.003 . . . . 0.0 114.707 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -87.52 86.74 7.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.879 0.871 . . . . 0.0 110.856 -175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.39 143.1 26.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.691 1.596 . . . . 0.0 112.306 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.9 t -73.17 133.34 81.38 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.329 1.052 . . . . 0.0 110.473 171.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -78.66 -8.74 15.92 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.15 2.567 . . . . 0.0 112.625 171.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -113.82 -21.58 10.6 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -171.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -144.46 -171.7 3.65 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.707 1.139 . . . . 0.0 112.516 171.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.7 p -74.37 -1.49 21.2 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.237 1.415 . . . . 0.0 114.531 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -61.77 141.45 57.89 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.563 1.545 . . . . 0.0 113.626 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.45 152.06 35.03 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.761 1.224 . . . . 0.0 111.856 169.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.3 p -141.55 175.05 9.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.958 1.303 . . . . 0.0 113.201 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.59 3.91 37.83 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.239 1.416 . . . . 0.0 113.992 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.2 mt -136.83 124.72 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.838 1.255 . . . . 0.0 110.669 -176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.95 -39.76 93.2 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.782 1.233 . . . . 0.0 113.132 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.15 77.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.567 0.747 . . . . 0.0 112.529 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -34.0 64.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.253 -0.905 . . . . 0.0 111.48 176.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.6 tp -64.49 -38.43 90.99 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.607 -0.683 . . . . 0.0 111.395 169.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -62.31 -42.87 99.73 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.324 0.966 . . . . 0.0 112.08 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.87 -35.34 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.639 0.776 . . . . 0.0 111.82 173.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.22 -44.62 79.08 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 172.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.29 -32.97 72.81 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.655 -1.278 . . . . 0.0 112.189 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -62.75 -13.38 32.15 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.707 1.203 . . . . 0.0 113.972 172.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -85.57 -18.93 31.95 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.022 1.329 . . . . 0.0 113.656 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 124.377 1.071 . . . . 0.0 111.11 175.708 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.48 145.19 50.2 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -168.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.9 t -69.69 145.0 52.68 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.4 1.48 . . . . 0.0 112.396 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.24 -8.16 54.03 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.911 1.285 . . . . 0.0 112.828 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -123.27 -17.09 6.7 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.9 p -148.83 -170.9 3.74 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.512 1.525 . . . . 0.0 112.315 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.5 m -81.21 2.08 29.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.436 1.494 . . . . 0.0 114.719 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.6 138.65 58.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.337 1.055 . . . . 0.0 113.407 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.9 p -137.14 150.04 47.7 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.169 1.388 . . . . 0.0 111.924 170.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.7 p -146.77 178.9 7.96 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.782 1.633 . . . . 0.0 112.36 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.2 mt -113.94 23.96 12.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.985 1.314 . . . . 0.0 112.973 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 t -153.73 137.84 16.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.794 1.238 . . . . 0.0 111.926 170.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -62.6 -25.29 68.01 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 169.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.82 -44.79 88.35 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.074 0.845 . . . . 0.0 112.104 171.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.33 -38.08 89.77 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 117.846 0.823 . . . . 0.0 111.558 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.47 -44.31 94.82 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.243 0.617 . . . . 0.0 111.973 174.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.57 -47.5 85.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.039 0.536 . . . . 0.0 111.068 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.42 -41.98 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.997 0.919 . . . . 0.0 111.524 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.24 -51.44 68.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.782 0.719 . . . . 0.0 112.192 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 98.2 mt -66.42 -44.69 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.169 -0.957 . . . . 0.0 111.099 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -62.82 -25.76 68.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.598 1.159 . . . . 0.0 113.541 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.27 -37.89 9.49 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -98.43 -35.06 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.858 0.863 . . . . 0.0 113.119 -169.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -169.858 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -133.74 134.97 43.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.419 0.687 . . . . 0.0 112.007 -169.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -72.97 130.55 40.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.138 1.375 . . . . 0.0 111.534 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -82.89 -8.85 59.54 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -103.85 -31.33 9.84 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.399 1.079 . . . . 0.0 113.724 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -134.18 8.01 3.7 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 58.38 20.17 7.1 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.392 1.877 . . . . 0.0 115.57 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -71.59 151.04 44.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.672 1.189 . . . . 0.0 111.804 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -118.44 137.25 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.333 1.453 . . . . 0.0 110.785 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -134.53 148.39 50.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.663 1.985 . . . . 0.0 111.381 -172.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -77.26 -23.2 51.26 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -175.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -140.47 155.48 46.66 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.419 1.088 . . . . 0.0 112.654 -172.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -58.8 -44.03 90.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.277 1.031 . . . . 0.0 111.848 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -66.01 -31.76 72.84 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 m -66.15 -45.55 80.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.625 0.77 . . . . 0.0 111.499 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 tp -65.49 -42.98 91.55 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 122.052 -0.405 . . . . 0.0 111.915 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -59.49 -41.32 89.56 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.188 0.903 . . . . 0.0 112.672 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.29 70.88 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -66.27 -42.88 87.86 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.427 0.691 . . . . 0.0 112.152 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.8 mt -57.69 -20.7 35.86 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.439 1.096 . . . . 0.0 113.646 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -58.28 -20.1 39.91 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 pt . . . . . 0 N--CA 1.474 0.741 0 CA-C-N 119.467 1.03 . . . . 0.0 113.221 173.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 CA--C 1.533 0.472 0 N-CA-C 115.017 1.122 . . . . 0.0 115.017 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -85.53 78.1 9.74 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.844 0.831 . . . . 0.0 111.073 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.54 145.55 28.02 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.294 1.837 . . . . 0.0 112.34 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.37 137.3 71.5 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.826 1.25 . . . . 0.0 111.029 172.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.62 -10.56 15.78 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.594 2.863 . . . . 0.0 112.952 173.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -113.25 -24.42 9.39 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -172.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.1 p -145.2 -175.42 4.69 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.271 1.396 . . . . 0.0 113.036 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -72.0 -0.64 12.1 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.306 1.442 . . . . 0.0 114.684 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -61.07 140.12 57.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.456 1.503 . . . . 0.0 113.379 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.57 152.52 38.09 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.141 1.376 . . . . 0.0 111.878 168.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t -145.72 169.97 17.44 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.454 1.101 . . . . 0.0 113.33 174.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.55 -1.04 51.33 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.037 1.735 . . . . 0.0 113.548 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.3 mt -128.4 128.29 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.066 1.346 . . . . 0.0 110.29 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -67.16 -37.35 83.6 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.504 1.121 . . . . 0.0 112.926 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.05 -30.69 71.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.489 0.716 . . . . 0.0 112.585 173.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.2 -39.92 78.34 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.094 -1.004 . . . . 0.0 111.085 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.96 -37.21 81.6 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.837 -0.54 . . . . 0.0 111.562 169.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -64.26 -36.57 84.52 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.758 -1.214 . . . . 0.0 112.83 175.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -72.85 -19.94 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.251 1.42 . . . . 0.0 112.398 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -84.74 -45.38 12.45 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.52 1.128 . . . . 0.0 113.746 170.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.04 -34.15 74.41 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.574 -1.329 . . . . 0.0 112.546 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -64.89 -9.3 20.0 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -84.68 -19.36 32.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.179 1.392 . . . . 0.0 113.135 170.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 . . . . . 0 CA--C 1.551 1.016 0 C-N-CA 125.129 1.372 . . . . 0.0 114.653 176.679 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.54 142.71 48.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.06 0.944 . . . . 0.0 113.115 -174.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.7 t -65.98 145.16 56.22 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.958 1.303 . . . . 0.0 111.96 177.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -87.61 -9.5 54.13 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.462 1.105 . . . . 0.0 112.693 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -121.87 -19.06 6.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.918 1.287 . . . . 0.0 114.124 -169.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.35 -171.37 3.72 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.394 1.478 . . . . 0.0 112.401 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.3 p -82.47 0.83 40.48 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.789 1.636 . . . . 0.0 114.855 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -62.84 143.59 57.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.338 1.055 . . . . 0.0 113.333 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.2 p -134.69 155.39 50.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.691 1.196 . . . . 0.0 112.374 170.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.8 t -144.9 158.22 43.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.902 1.281 . . . . 0.0 112.22 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.4 mt -98.42 8.41 44.9 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.99 1.316 . . . . 0.0 113.299 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.8 t -140.05 126.31 19.99 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.684 1.594 . . . . 0.0 110.719 170.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -19.21 63.35 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 174.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.85 -46.76 28.36 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.014 0.816 . . . . 0.0 111.81 171.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -68.18 -32.13 72.16 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.749 -0.853 . . . . 0.0 111.869 174.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.35 -40.02 96.13 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.209 -0.932 . . . . 0.0 112.267 170.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.42 -41.8 97.73 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.26 -0.9 . . . . 0.0 111.215 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.3 t -63.18 -40.63 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.293 0.637 . . . . 0.0 111.858 174.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -57.32 -46.42 83.25 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.407 1.003 . . . . 0.0 111.489 171.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.81 -45.26 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 O-C-N 121.45 -0.782 . . . . 0.0 110.994 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.14 -35.3 80.12 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -84.91 -37.54 20.46 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.78 -37.01 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.858 0.863 . . . . 0.0 112.672 -170.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -172.724 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 m -133.86 135.73 43.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.466 0.706 . . . . 0.0 112.062 -169.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -70.34 134.17 47.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.113 1.365 . . . . 0.0 111.871 176.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -85.13 -8.78 58.47 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -106.33 -31.71 8.48 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.449 1.1 . . . . 0.0 113.794 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -133.51 6.61 3.8 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 59.31 14.82 3.89 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.368 1.867 . . . . 0.0 115.913 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -64.16 149.81 47.0 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.502 1.121 . . . . 0.0 111.745 170.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -116.81 136.24 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.302 1.441 . . . . 0.0 110.662 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -132.89 145.19 50.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.597 1.959 . . . . 0.0 110.929 -174.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -78.48 -19.43 53.06 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -137.46 150.13 47.36 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.749 1.22 . . . . 0.0 112.347 -171.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -63.48 -42.26 98.57 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.975 0.91 . . . . 0.0 112.06 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -64.3 -35.67 81.62 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.154 0.582 . . . . 0.0 112.47 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.9 m -63.39 -43.5 97.38 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.506 0.723 . . . . 0.0 111.978 174.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.25 -45.34 80.91 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.456 0.571 . . . . 0.0 111.838 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -59.67 -39.49 84.63 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.159 -0.963 . . . . 0.0 112.807 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.4 -33.78 67.4 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -64.99 -43.54 92.24 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.515 0.726 . . . . 0.0 112.346 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.2 mt -58.2 -20.32 40.41 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -56.99 -25.39 58.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.9 1.28 . . . . 0.0 114.021 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 N--CA 1.476 0.85 0 CA-C-N 119.197 0.908 . . . . 0.0 112.565 176.334 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 CA--C 1.536 0.606 0 N-CA-C 115.915 1.467 . . . . 0.0 115.915 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -85.38 84.75 7.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.824 0.738 . . . . 0.0 111.435 -169.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -73.73 141.15 46.36 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.131 1.372 . . . . 0.0 111.894 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -67.54 132.46 92.88 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.41 1.484 . . . . 0.0 110.618 174.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -66.28 -14.93 46.4 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.241 2.627 . . . . 0.0 113.784 170.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -113.43 -25.93 8.57 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -169.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -143.14 -172.64 3.72 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 120.349 1.431 . . . . 0.0 113.178 175.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.1 p -72.91 -3.14 23.94 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.744 1.618 . . . . 0.0 114.428 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -63.98 149.13 48.0 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.585 1.554 . . . . 0.0 113.383 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.5 144.43 28.56 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.553 1.141 . . . . 0.0 111.968 169.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.9 t -119.14 157.54 27.71 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.815 1.246 . . . . 0.0 113.369 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.87 -6.42 58.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.844 1.258 . . . . 0.0 112.774 169.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.2 mt -133.07 128.11 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.97 1.308 . . . . 0.0 110.289 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -63.88 -39.11 93.42 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.69 0.796 . . . . 0.0 112.431 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.58 -24.53 64.61 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.126 0.97 . . . . 0.0 113.475 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -75.58 -40.88 55.93 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.135 -0.978 . . . . 0.0 111.236 170.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.54 -36.26 80.08 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.592 0.633 . . . . 0.0 111.565 172.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.75 -24.63 64.2 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.745 1.218 . . . . 0.0 113.64 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.8 -36.39 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.939 1.295 . . . . 0.0 111.677 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -59.59 -39.3 83.69 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.093 -1.005 . . . . 0.0 113.097 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 mt -59.16 -29.84 67.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.024 -1.048 . . . . 0.0 112.769 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -68.3 -11.02 58.79 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.398 1.479 . . . . 0.0 113.716 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -82.81 -22.31 34.22 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.158 1.383 . . . . 0.0 112.864 172.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 112.948 179.022 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.59 146.99 47.74 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -169.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.83 149.79 49.43 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.466 1.506 . . . . 0.0 112.137 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -96.07 -2.78 45.97 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.191 1.396 . . . . 0.0 112.656 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -125.95 -17.06 5.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.592 1.157 . . . . 0.0 113.985 -172.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.51 -172.3 4.1 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.651 1.58 . . . . 0.0 112.081 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 m -80.96 2.91 24.79 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.346 1.459 . . . . 0.0 114.654 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.99 143.57 57.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.457 1.103 . . . . 0.0 113.66 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 p -137.72 148.3 45.53 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.246 1.418 . . . . 0.0 111.883 171.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.443 ' HG ' ' CG ' ' A' ' 79' ' ' HIS . 9.1 t -145.87 162.83 36.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.355 1.062 . . . . 0.0 112.341 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.4 mt -86.91 4.24 42.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.445 1.498 . . . . 0.0 113.855 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.0 t -137.26 132.53 33.89 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.982 1.313 . . . . 0.0 112.316 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -64.55 -33.24 75.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.443 1.097 . . . . 0.0 112.127 170.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.3 76.38 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.816 0.722 . . . . 0.0 112.036 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.443 ' CG ' ' HG ' ' A' ' 74' ' ' CYS . 2.4 t-80 -66.37 -35.38 80.19 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.852 -0.793 . . . . 0.0 111.836 175.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.69 -38.83 84.22 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.567 -0.708 . . . . 0.0 112.05 174.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -60.88 -47.59 85.69 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.568 -0.708 . . . . 0.0 110.945 172.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.39 -41.87 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.634 0.652 . . . . 0.0 111.499 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -56.07 -47.52 77.8 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.076 0.853 . . . . 0.0 111.658 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.51 -45.67 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.094 -1.004 . . . . 0.0 111.303 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -67.23 -21.51 65.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -104.57 -46.86 4.24 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.71 -37.6 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.673 -0.642 . . . . 0.0 111.649 -172.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -171.528 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 110.618 -0.141 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 m -136.1 137.17 40.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.616 0.766 . . . . 0.0 112.36 -170.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -70.23 131.53 44.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.293 1.437 . . . . 0.0 111.618 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.42 -8.55 59.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -107.36 -31.97 7.95 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.451 1.1 . . . . 0.0 113.886 -174.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -132.57 6.52 4.08 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.3 m120 59.47 15.67 4.66 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.302 1.841 . . . . 0.0 115.848 175.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -64.15 149.91 46.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.63 1.172 . . . . 0.0 111.706 170.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.23 136.38 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.217 1.407 . . . . 0.0 110.882 -174.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -134.62 146.75 49.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.679 1.992 . . . . 0.0 110.983 -173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -73.36 -37.29 66.11 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -121.98 149.13 43.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.598 1.159 . . . . 0.0 111.766 -170.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -60.9 -42.17 97.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.723 0.809 . . . . 0.0 112.11 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -66.65 -30.51 70.79 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.2 m -66.16 -42.57 88.8 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.48 0.712 . . . . 0.0 111.581 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.7 tp -66.52 -45.74 78.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 119.131 -0.461 . . . . 0.0 111.79 172.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -58.05 -40.14 80.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.585 1.084 . . . . 0.0 112.446 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.51 62.7 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -69.06 -44.7 72.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.553 0.741 . . . . 0.0 111.985 170.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.76 -19.61 42.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.387 1.075 . . . . 0.0 113.61 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 -47.19 -35.59 7.65 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.844 1.258 . . . . 0.0 114.073 170.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 pt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -178.42 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 CA--C 1.533 0.448 0 N-CA-C 115.316 1.237 . . . . 0.0 115.316 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -92.7 87.82 6.03 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.507 0.67 . . . . 0.0 111.108 -169.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -92.54 142.39 27.46 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.814 1.246 . . . . 0.0 112.229 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.3 t -67.36 136.94 93.57 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 125.002 1.321 . . . . 0.0 111.667 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.95 -10.31 24.55 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.318 2.679 . . . . 0.0 113.108 173.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.28 -27.88 7.46 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -145.06 -174.5 4.38 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.44 1.473 . . . . 0.0 113.683 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -72.94 -0.88 14.92 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.407 1.483 . . . . 0.0 114.423 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -59.39 141.92 53.47 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.153 1.381 . . . . 0.0 113.041 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.86 148.97 39.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.897 1.279 . . . . 0.0 112.311 171.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p -135.84 159.2 42.39 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.644 1.178 . . . . 0.0 113.109 172.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.49 -0.77 54.43 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.653 1.181 . . . . 0.0 112.874 170.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.15 124.11 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.881 2.073 . . . . 0.0 109.305 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -62.31 -36.81 83.3 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.039 0.936 . . . . 0.0 112.854 -175.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -31.59 72.76 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.849 0.86 . . . . 0.0 112.877 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -71.93 -39.3 69.55 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.426 -0.796 . . . . 0.0 111.107 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.79 -41.48 95.79 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.632 0.651 . . . . 0.0 111.619 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -56.64 -44.87 81.72 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.254 0.622 . . . . 0.0 111.845 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.49 -39.4 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.687 0.795 . . . . 0.0 111.897 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -57.99 -37.25 73.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.403 1.001 . . . . 0.0 113.076 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.59 -29.03 68.94 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.044 -1.035 . . . . 0.0 113.292 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -62.38 -21.35 65.28 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 172.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -77.31 -19.4 56.46 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.533 1.133 . . . . 0.0 113.136 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 124.862 1.265 . . . . 0.0 110.783 169.835 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.69 144.35 47.74 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.03 0.932 . . . . 0.0 112.939 -174.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.5 t -65.6 145.96 55.42 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.386 1.475 . . . . 0.0 112.062 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.03 -8.09 50.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.702 1.201 . . . . 0.0 112.646 175.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -119.27 -20.51 7.9 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.28 1.432 . . . . 0.0 113.561 -170.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.12 -170.1 3.46 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.93 1.692 . . . . 0.0 112.063 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 m -83.63 1.27 43.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.329 1.452 . . . . 0.0 114.723 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -63.07 145.31 55.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.781 1.232 . . . . 0.0 114.02 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -129.8 152.43 49.3 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.013 1.725 . . . . 0.0 112.0 172.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.1 t -145.14 157.33 44.12 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.629 1.172 . . . . 0.0 111.985 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.01 -1.03 57.57 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.102 1.361 . . . . 0.0 112.667 174.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 t -138.01 128.42 26.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.756 1.622 . . . . 0.0 111.483 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -68.17 -27.54 66.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.662 0.785 . . . . 0.0 112.917 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.27 -44.32 66.39 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.95 0.786 . . . . 0.0 112.159 174.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -69.58 -33.26 72.45 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.703 -0.88 . . . . 0.0 111.891 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.73 -38.33 90.63 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.644 -0.66 . . . . 0.0 112.274 171.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.75 -40.83 93.93 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.053 0.842 . . . . 0.0 111.368 173.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.5 t -66.38 -42.42 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.161 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -53.88 -45.7 71.11 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.402 1.455 . . . . 0.0 111.578 172.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.13 -47.92 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.297 -0.877 . . . . 0.0 111.342 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -61.6 -47.7 84.27 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -92.96 -16.75 24.76 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -168.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.4 -45.14 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.185 0.994 . . . . 0.0 112.075 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -169.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 110.867 -0.049 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.0 m -134.64 134.74 41.51 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.764 0.826 . . . . 0.0 111.9 -170.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -71.17 131.95 44.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.131 1.372 . . . . 0.0 111.488 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.06 -7.11 59.48 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.09 -31.59 8.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.549 1.139 . . . . 0.0 113.903 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -133.49 9.31 3.98 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 59.47 13.52 3.3 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.801 2.041 . . . . 0.0 115.824 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -65.86 149.45 50.17 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.719 1.208 . . . . 0.0 111.927 173.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.42 138.04 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.195 1.398 . . . . 0.0 110.88 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -133.37 145.65 50.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.79 2.036 . . . . 0.0 110.984 -173.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.42 -28.8 62.19 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.237 1.015 . . . . 0.0 113.302 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -134.55 153.58 51.88 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.692 1.197 . . . . 0.0 113.038 -170.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -61.5 -45.38 94.47 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.6 1.16 . . . . 0.0 112.408 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -63.28 -35.15 79.41 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.227 0.611 . . . . 0.0 112.485 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 m -63.77 -43.02 97.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.536 0.734 . . . . 0.0 111.952 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 tp -67.38 -44.72 78.26 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.21 0.459 . . . . 0.0 111.942 172.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -57.99 -41.02 82.13 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.428 -0.795 . . . . 0.0 112.61 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.82 -34.0 68.96 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -66.05 -42.77 89.08 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.433 0.693 . . . . 0.0 112.213 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.12 -19.7 47.05 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -59.0 -22.38 60.54 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.81 1.244 . . . . 0.0 114.163 176.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 N--CA 1.474 0.742 0 CA-C-N 119.312 0.96 . . . . 0.0 112.834 176.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 CA--C 1.533 0.453 0 N-CA-C 115.302 1.231 . . . . 0.0 115.302 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -82.23 79.28 8.76 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.852 0.834 . . . . 0.0 111.401 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -84.78 141.58 30.41 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.073 1.749 . . . . 0.0 111.507 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.1 t -70.78 136.62 85.44 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.404 1.082 . . . . 0.0 111.572 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -73.08 -9.9 23.93 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 123.405 2.737 . . . . 0.0 113.131 171.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -117.17 -25.15 7.22 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.7 p -145.18 -172.22 3.82 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.531 1.514 . . . . 0.0 113.631 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.9 p -76.57 -0.53 23.58 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.625 1.57 . . . . 0.0 114.65 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -57.28 139.69 52.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.345 1.458 . . . . 0.0 112.875 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.87 148.37 33.87 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.143 1.377 . . . . 0.0 112.001 169.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 t -145.47 175.96 9.95 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.236 1.015 . . . . 0.0 113.474 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.41 -0.75 42.98 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.964 1.706 . . . . 0.0 114.016 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 mt -135.99 131.64 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.939 1.296 . . . . 0.0 110.442 -177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -62.74 -39.39 93.96 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.11 0.964 . . . . 0.0 112.574 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.61 74.87 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.598 0.759 . . . . 0.0 112.608 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -70.52 -37.6 74.15 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.115 -0.991 . . . . 0.0 111.351 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.24 -36.32 83.27 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.612 -0.68 . . . . 0.0 112.141 169.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -62.99 -41.83 99.68 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.896 -1.127 . . . . 0.0 111.688 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.0 -24.43 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.079 1.352 . . . . 0.0 112.436 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -79.16 -42.43 26.16 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 171.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -60.9 -35.25 76.18 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.656 -1.277 . . . . 0.0 112.617 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -66.37 -8.82 28.01 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -87.99 -11.02 48.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.453 1.501 . . . . 0.0 113.638 171.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 175.384 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.3 141.77 49.71 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.045 0.938 . . . . 0.0 113.321 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.1 t -65.99 145.86 55.38 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.99 1.316 . . . . 0.0 112.344 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -88.07 -10.28 50.68 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.717 1.207 . . . . 0.0 112.611 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -119.95 -20.68 7.41 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.034 1.334 . . . . 0.0 113.995 -170.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.5 p -146.74 -172.88 4.08 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.497 1.519 . . . . 0.0 112.405 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 m -80.55 0.9 31.86 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.184 1.393 . . . . 0.0 114.609 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -63.02 144.68 56.67 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.505 1.122 . . . . 0.0 113.724 -176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.6 p -134.85 152.85 52.09 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.21 1.404 . . . . 0.0 111.662 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.4 t -144.02 158.6 43.61 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.286 1.034 . . . . 0.0 112.279 177.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.57 -3.54 50.69 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.688 1.595 . . . . 0.0 113.409 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 t -134.27 131.43 38.44 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.193 1.397 . . . . 0.0 111.942 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -21.27 63.21 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 171.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.23 -44.52 28.4 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.104 0.859 . . . . 0.0 111.797 173.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -66.73 -34.67 78.36 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.818 -0.813 . . . . 0.0 111.594 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.0 -40.45 96.38 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.515 -0.741 . . . . 0.0 112.386 173.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.27 -43.01 92.54 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.542 -0.724 . . . . 0.0 111.247 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.73 -40.53 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.311 0.644 . . . . 0.0 111.858 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -55.51 -45.68 77.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.544 1.066 . . . . 0.0 111.224 172.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.55 -47.37 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.408 -0.807 . . . . 0.0 110.728 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.59 -20.9 65.43 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.057 1.502 . . . . 0.0 115.057 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -103.23 -36.97 7.89 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -92.48 -36.92 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.664 0.786 . . . . 0.0 112.278 -174.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -169.679 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 m -120.66 135.69 55.05 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.124 0.97 . . . . 0.0 112.261 -174.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.47 130.83 44.03 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.948 2.099 . . . . 0.0 111.588 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.89 -8.14 59.66 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -105.49 -32.58 8.46 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.317 1.047 . . . . 0.0 113.785 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -133.09 7.04 3.94 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.9 t30 59.29 16.31 4.91 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.474 1.91 . . . . 0.0 115.73 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -68.58 144.35 54.57 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.994 -1.066 . . . . 0.0 110.868 169.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 p -125.17 138.87 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.345 1.058 . . . . 0.0 112.308 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -130.11 148.6 51.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.704 2.401 . . . . 0.0 110.38 -169.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -78.99 -17.7 54.94 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -177.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -136.94 151.28 48.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.757 1.223 . . . . 0.0 112.662 -171.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -62.46 -44.75 95.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.355 1.062 . . . . 0.0 112.482 -177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -63.44 -36.84 85.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.43 0.692 . . . . 0.0 112.434 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.1 m -63.53 -42.7 98.41 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.583 0.753 . . . . 0.0 112.111 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -69.04 -46.03 68.92 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.34 0.518 . . . . 0.0 111.744 172.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -60.58 -37.46 81.4 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.383 0.992 . . . . 0.0 112.97 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.4 61.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -64.92 -44.46 89.44 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.604 0.638 . . . . 0.0 112.093 171.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.65 -24.11 54.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.523 1.129 . . . . 0.0 113.633 -175.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -51.53 -30.75 21.61 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.207 1.403 . . . . 0.0 114.051 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 pt . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 CA--C 1.535 0.565 0 N-CA-C 114.896 1.075 . . . . 0.0 114.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -87.42 83.64 7.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.554 0.692 . . . . 0.0 110.786 -172.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -89.33 144.58 25.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.11 1.764 . . . . 0.0 112.354 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.7 t -75.05 137.1 72.66 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.887 1.275 . . . . 0.0 111.437 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.76 -14.87 15.47 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.628 2.885 . . . . 0.0 112.909 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -107.19 -27.34 10.62 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -173.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.5 p -144.62 -175.62 4.73 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.255 1.389 . . . . 0.0 113.135 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -71.95 -1.17 13.5 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.341 1.456 . . . . 0.0 114.625 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -61.05 141.05 57.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.731 1.612 . . . . 0.0 113.611 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.66 151.13 35.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.069 1.348 . . . . 0.0 112.009 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t -142.13 165.09 28.4 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.369 1.068 . . . . 0.0 113.322 174.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.15 -6.53 59.29 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.134 1.374 . . . . 0.0 113.542 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.7 mm -125.23 133.57 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.584 1.554 . . . . 0.0 110.888 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.82 -37.56 84.75 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.816 0.846 . . . . 0.0 112.463 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.15 86.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.72 0.808 . . . . 0.0 112.682 173.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -61.48 -43.45 98.85 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.582 1.083 . . . . 0.0 111.448 172.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 tp -62.83 -36.8 84.39 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.812 -0.555 . . . . 0.0 112.262 174.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -64.38 -42.65 96.05 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.91 1.232 . . . . 0.0 112.588 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.2 -23.63 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.884 1.274 . . . . 0.0 112.126 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -83.07 -44.16 15.48 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.573 1.149 . . . . 0.0 113.715 172.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.43 -33.03 73.99 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.52 -1.363 . . . . 0.0 112.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -65.08 -12.08 46.73 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 173.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -80.84 -19.67 44.08 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.918 1.287 . . . . 0.0 112.783 169.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 . . . . . 0 CA--C 1.55 0.968 0 C-N-CA 125.949 1.7 . . . . 0.0 114.491 179.857 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.59 145.04 46.76 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -169.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.0 t -70.94 146.97 49.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.026 1.33 . . . . 0.0 112.419 176.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -93.86 -9.96 35.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.223 1.409 . . . . 0.0 112.509 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -117.7 -17.96 9.77 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.327 1.451 . . . . 0.0 113.617 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 p -148.56 -173.58 4.37 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.893 1.677 . . . . 0.0 111.934 171.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.2 m -80.94 1.86 29.25 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.262 1.425 . . . . 0.0 114.577 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.93 146.2 54.48 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.7 p -136.03 152.86 51.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.763 1.225 . . . . 0.0 111.985 168.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 27.1 p -144.01 -177.42 5.43 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.345 1.858 . . . . 0.0 110.452 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.79 15.3 21.97 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -174.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -152.8 142.24 21.69 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.615 1.166 . . . . 0.0 112.171 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -60.41 -28.35 68.18 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.772 0.829 . . . . 0.0 112.959 169.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.81 -42.49 78.84 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 123.8 0.714 . . . . 0.0 112.262 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.79 -34.44 78.17 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.696 -0.885 . . . . 0.0 111.569 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.11 -44.59 79.54 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 111.84 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -58.89 -43.26 90.91 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.103 0.961 . . . . 0.0 111.49 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.94 -41.59 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.224 1.01 . . . . 0.0 112.115 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -58.52 -46.89 85.81 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.289 0.95 . . . . 0.0 111.689 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.0 -44.85 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 121.599 -0.688 . . . . 0.0 110.511 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.73 -33.3 73.8 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -89.9 -36.38 15.07 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -102.56 -34.65 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -169.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -169.311 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 CA--C 1.538 0.498 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.8 m -131.5 135.04 46.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.526 0.73 . . . . 0.0 112.364 -169.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -73.87 133.96 43.21 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.309 1.443 . . . . 0.0 111.962 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.28 -10.16 58.69 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -104.23 -32.25 9.2 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -174.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -132.29 3.68 3.98 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.1 t30 58.78 20.37 7.86 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.216 1.806 . . . . 0.0 115.331 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -68.23 152.42 45.49 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.157 -0.964 . . . . 0.0 111.525 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.63 137.73 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.279 1.432 . . . . 0.0 110.755 -176.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -132.89 146.45 51.81 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.711 2.005 . . . . 0.0 111.277 -172.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -79.22 -21.39 46.32 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.86 1.264 . . . . 0.0 113.617 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -137.75 151.83 48.59 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.627 1.171 . . . . 0.0 112.558 -173.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.42 -42.6 95.95 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.096 0.959 . . . . 0.0 112.445 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -63.29 -35.7 81.23 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.28 0.632 . . . . 0.0 112.36 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.1 m -63.41 -43.25 98.05 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.555 0.742 . . . . 0.0 111.89 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.8 -45.87 77.0 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.518 0.599 . . . . 0.0 111.873 172.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -59.29 -40.16 85.27 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.15 0.886 . . . . 0.0 112.584 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.46 -34.88 68.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.314 0.646 . . . . 0.0 112.635 174.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -64.79 -44.04 91.24 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.373 0.669 . . . . 0.0 112.074 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.02 -23.63 54.99 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.984 0.913 . . . . 0.0 113.393 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -63.57 -20.73 65.88 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 pt . . . . . 0 N--CA 1.476 0.838 0 CA-C-N 119.685 1.13 . . . . 0.0 112.489 173.012 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo . . . . . 0 CA--C 1.537 0.662 0 N-CA-C 114.728 1.011 . . . . 0.0 114.728 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -91.55 83.35 5.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.861 0.755 . . . . 0.0 112.348 -169.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.29 145.17 44.18 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.29 1.036 . . . . 0.0 111.766 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.6 t -71.07 137.87 84.76 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.06 1.344 . . . . 0.0 111.003 169.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -75.73 -9.96 19.9 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.467 2.778 . . . . 0.0 113.131 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -113.61 -27.73 7.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -174.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.8 p -143.34 -173.49 3.95 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 120.155 1.343 . . . . 0.0 113.283 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -72.09 -7.84 51.25 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.282 1.433 . . . . 0.0 114.527 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -54.79 140.43 36.34 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.842 1.657 . . . . 0.0 113.413 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.98 150.38 36.83 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.567 1.147 . . . . 0.0 111.866 168.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -134.88 159.35 41.69 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.867 1.267 . . . . 0.0 113.17 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.4 -6.63 58.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.895 1.278 . . . . 0.0 112.912 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.5 mt -128.26 126.08 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.092 1.357 . . . . 0.0 110.291 -174.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -67.27 -34.67 77.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.929 0.892 . . . . 0.0 112.536 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.43 73.87 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.057 0.943 . . . . 0.0 112.766 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -71.38 -39.34 71.27 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.606 -0.684 . . . . 0.0 111.281 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.5 -38.92 89.08 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.422 -0.799 . . . . 0.0 111.614 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -66.96 -12.49 59.82 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 174.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.3 t -95.47 -38.0 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.899 1.28 . . . . 0.0 110.916 168.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.33 -40.05 96.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.287 1.035 . . . . 0.0 113.617 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -59.11 -28.45 66.54 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.158 -0.964 . . . . 0.0 113.171 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -62.06 -22.92 66.16 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.565 1.146 . . . . 0.0 112.826 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -76.94 -19.79 56.95 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.709 1.204 . . . . 0.0 112.999 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 CA--C 1.549 0.906 0 C-N-CA 125.303 1.441 . . . . 0.0 114.35 176.331 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.13 144.21 42.9 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.962 0.905 . . . . 0.0 113.319 -169.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.8 t -71.17 148.08 47.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.198 1.399 . . . . 0.0 112.737 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -95.07 -10.1 31.73 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.328 1.451 . . . . 0.0 112.525 175.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -116.95 -19.81 9.65 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.246 1.419 . . . . 0.0 113.633 -171.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.4 p -146.18 -170.19 3.43 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.8 1.64 . . . . 0.0 111.875 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 p -84.41 1.38 45.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.664 1.586 . . . . 0.0 114.812 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.97 144.84 56.46 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.3 p -138.57 150.43 46.32 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.047 1.339 . . . . 0.0 112.401 171.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.8 p -145.97 173.34 12.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.607 1.563 . . . . 0.0 112.493 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.27 7.44 45.67 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.6 t -144.55 141.68 29.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.039 1.336 . . . . 0.0 112.13 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.15 -29.61 68.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.453 1.101 . . . . 0.0 112.33 172.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.34 -42.64 93.89 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 123.703 0.668 . . . . 0.0 111.784 171.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -65.14 -36.11 83.22 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.794 -0.827 . . . . 0.0 111.666 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.45 -42.73 95.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.433 0.693 . . . . 0.0 111.706 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -58.92 -48.02 82.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.156 0.583 . . . . 0.0 110.779 174.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.89 -42.06 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 118.67 0.668 . . . . 0.0 111.559 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -57.32 -49.43 76.13 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.367 0.985 . . . . 0.0 111.806 174.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.31 -44.82 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.059 -1.026 . . . . 0.0 111.231 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -74.43 -17.57 60.77 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -107.01 -30.39 8.85 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 175.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.72 -39.83 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 119.43 1.014 . . . . 0.0 112.171 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.614 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -133.84 134.36 42.7 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.489 0.715 . . . . 0.0 111.935 -169.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 t -72.58 130.71 41.23 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.982 1.313 . . . . 0.0 111.467 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.37 -7.99 59.48 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -104.54 -31.4 9.46 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.521 1.128 . . . . 0.0 113.86 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 p -133.69 7.37 3.8 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.28 18.36 6.58 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.35 1.86 . . . . 0.0 115.344 175.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -69.31 150.6 47.19 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.959 -1.088 . . . . 0.0 111.795 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.9 t -118.12 136.85 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.459 1.504 . . . . 0.0 110.627 -176.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -133.93 147.38 51.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.636 1.974 . . . . 0.0 111.575 -172.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -77.08 -26.37 53.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.35 1.06 . . . . 0.0 113.632 -175.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -136.1 156.22 49.03 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.649 1.18 . . . . 0.0 112.773 -173.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -61.51 -41.61 97.57 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.133 0.973 . . . . 0.0 111.983 177.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -65.47 -32.13 73.58 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 m -65.75 -45.22 83.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.701 0.8 . . . . 0.0 111.53 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.9 tp -66.29 -43.13 87.17 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.973 -0.454 . . . . 0.0 112.0 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -59.86 -40.52 88.88 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.196 -0.94 . . . . 0.0 112.504 177.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.03 -30.92 64.11 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -68.23 -41.99 80.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.729 0.811 . . . . 0.0 112.149 172.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.0 mt -59.42 -17.04 27.36 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.658 1.183 . . . . 0.0 114.1 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -57.31 -22.95 45.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 pt . . . . . 0 N--CA 1.475 0.81 0 CA-C-N 119.22 0.918 . . . . 0.0 113.097 175.511 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo . . . . . 0 CA--C 1.532 0.381 0 N-CA-C 113.863 0.678 . . . . 0.0 113.863 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -97.92 137.27 37.01 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.244 1.018 . . . . 0.0 110.868 -173.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -124.49 147.61 48.25 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.789 1.635 . . . . 0.0 111.911 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.4 t -71.34 133.47 85.27 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.488 1.115 . . . . 0.0 110.835 173.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.99 -9.29 16.75 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.619 2.879 . . . . 0.0 112.838 172.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -108.54 -29.11 8.94 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.8 p -143.51 -176.52 4.99 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.991 1.268 . . . . 0.0 112.846 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -70.72 -0.51 9.0 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.018 1.327 . . . . 0.0 114.347 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -64.95 145.79 55.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.043 1.737 . . . . 0.0 113.512 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.57 158.77 43.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.784 1.234 . . . . 0.0 112.641 170.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -139.06 153.17 48.03 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.607 1.963 . . . . 0.0 112.904 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.66 -8.1 57.74 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.804 1.241 . . . . 0.0 113.227 169.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.6 131.5 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.317 1.447 . . . . 0.0 110.757 -171.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -66.49 -34.83 78.79 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.653 0.781 . . . . 0.0 112.662 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.76 -28.73 63.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.248 1.019 . . . . 0.0 113.191 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -72.68 -37.9 67.73 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.783 -1.198 . . . . 0.0 110.849 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.8 tp -64.34 -34.86 79.11 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.668 -0.645 . . . . 0.0 112.256 171.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -57.66 -49.87 75.05 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.172 -0.955 . . . . 0.0 111.569 171.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.02 -34.07 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.103 0.961 . . . . 0.0 111.849 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -68.55 -42.18 78.73 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.442 -0.786 . . . . 0.0 112.999 173.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.66 -31.1 72.16 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.48 -1.388 . . . . 0.0 112.243 173.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -65.88 -8.25 21.07 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.656 1.183 . . . . 0.0 113.907 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -87.23 -26.78 23.33 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.837 1.255 . . . . 0.0 112.385 167.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 . . . . . 0 N--CA 1.471 0.589 0 C-N-CA 125.337 1.455 . . . . 0.0 113.954 -178.72 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.49 145.29 49.62 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.451 1.101 . . . . 0.0 113.116 -175.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 45.9 t -64.78 141.72 58.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.194 1.398 . . . . 0.0 111.473 174.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.95 -7.19 59.26 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.302 1.041 . . . . 0.0 112.56 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -121.47 -23.41 5.65 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.167 1.387 . . . . 0.0 113.996 -169.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.4 p -145.72 -170.15 3.39 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.488 1.515 . . . . 0.0 112.368 176.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -81.59 -0.67 43.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.261 1.424 . . . . 0.0 114.766 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -63.47 145.76 54.99 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.307 1.043 . . . . 0.0 113.717 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.2 p -137.9 149.34 46.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.458 1.503 . . . . 0.0 112.033 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.4 t -148.01 150.01 33.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.399 1.08 . . . . 0.0 111.857 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -81.4 -7.4 59.57 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.852 0.861 . . . . 0.0 113.002 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.6 t -112.58 124.26 52.13 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.524 1.53 . . . . 0.0 111.157 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.77 -32.42 72.16 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.95 0.9 . . . . 0.0 111.92 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.87 93.74 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 123.991 0.805 . . . . 0.0 112.505 173.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -68.47 -32.74 72.96 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.676 -0.897 . . . . 0.0 112.286 175.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.72 -40.59 92.36 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.513 -0.742 . . . . 0.0 112.062 171.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.73 -42.2 98.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.325 -0.859 . . . . 0.0 111.561 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.21 -41.36 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.659 0.783 . . . . 0.0 111.64 174.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.06 -46.22 85.76 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.378 0.99 . . . . 0.0 111.636 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.51 -43.9 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 121.502 -0.748 . . . . 0.0 111.099 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -67.39 -30.96 70.87 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -85.5 -39.44 17.45 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -102.35 -30.18 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.232 1.013 . . . . 0.0 113.103 -169.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -169.233 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.2 m -133.43 134.99 44.31 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.514 0.726 . . . . 0.0 111.982 -170.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -72.11 129.26 38.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.217 1.407 . . . . 0.0 111.303 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -82.79 -6.74 59.56 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -106.57 -31.91 8.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.508 1.123 . . . . 0.0 113.786 -174.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -133.37 7.76 3.92 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 60.17 14.82 4.77 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.41 1.884 . . . . 0.0 115.863 175.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -65.45 150.94 47.5 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 111.887 170.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -120.18 137.73 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.289 1.436 . . . . 0.0 110.769 -176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -134.69 148.88 50.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.786 2.034 . . . . 0.0 111.248 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -78.4 -25.48 46.13 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -137.11 154.36 50.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.424 1.09 . . . . 0.0 112.931 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.92 -41.88 92.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.682 1.193 . . . . 0.0 112.268 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -65.72 -32.73 74.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.54 0.736 . . . . 0.0 112.844 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.5 m -67.92 -43.65 78.69 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.455 0.702 . . . . 0.0 111.561 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.73 -43.24 89.63 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.181 0.446 . . . . 0.0 111.9 172.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -61.5 -39.36 90.7 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.428 1.013 . . . . 0.0 112.852 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.91 -31.1 64.43 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -67.87 -42.31 81.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.448 0.699 . . . . 0.0 112.115 170.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.98 -18.5 34.62 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.904 1.282 . . . . 0.0 114.114 -176.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -53.48 -26.65 21.42 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 pt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 176.601 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo . . . . . 0 CA--C 1.534 0.504 0 N-CA-C 112.978 0.338 . . . . 0.0 112.978 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -96.29 114.51 26.2 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.683 0.793 . . . . 0.0 110.957 -175.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -131.69 144.23 50.85 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 128.08 2.552 . . . . 0.0 110.569 -171.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.5 t -72.86 135.94 80.34 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.007 0.923 . . . . 0.0 111.814 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.55 -10.27 18.72 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.533 2.822 . . . . 0.0 113.141 172.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -116.79 -24.09 7.84 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.6 p -143.54 -176.44 4.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 120.333 1.424 . . . . 0.0 113.005 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -71.05 -1.7 13.05 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.015 1.326 . . . . 0.0 114.297 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -62.92 141.69 58.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.667 1.587 . . . . 0.0 113.668 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.73 152.61 36.92 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.461 1.504 . . . . 0.0 110.536 168.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -128.75 -25.9 2.77 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 -169.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 57.73 11.59 1.37 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.941 1.296 . . . . 0.0 114.169 -165.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.0 mt -139.92 123.48 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.356 1.463 . . . . 0.0 110.096 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -59.5 -45.45 91.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.851 1.261 . . . . 0.0 112.661 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.39 -36.03 82.36 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.145 0.978 . . . . 0.0 112.85 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -71.77 -39.72 69.78 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.612 -0.68 . . . . 0.0 111.101 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.67 -38.76 92.35 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.527 -0.733 . . . . 0.0 112.26 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -60.66 -36.03 77.72 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.965 0.906 . . . . 0.0 112.087 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.7 t -79.07 -33.34 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.158 -0.964 . . . . 0.0 112.146 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.08 -40.64 98.25 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.958 -1.088 . . . . 0.0 112.897 174.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.34 -31.93 70.77 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.906 -1.121 . . . . 0.0 112.645 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -66.45 -9.56 35.32 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -86.9 -17.83 32.31 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.162 1.385 . . . . 0.0 113.254 171.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 CA--C 1.545 0.763 0 C-N-CA 124.755 1.222 . . . . 0.0 111.436 175.894 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.82 144.19 51.04 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -169.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.2 t -68.97 145.25 53.76 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.0 1.32 . . . . 0.0 112.504 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -91.63 -9.78 42.77 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.933 1.293 . . . . 0.0 112.425 175.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -118.02 -19.55 9.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.302 1.441 . . . . 0.0 113.679 -171.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.7 p -146.93 -168.18 2.97 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.848 1.659 . . . . 0.0 111.98 172.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.0 p -85.94 1.26 50.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.783 1.633 . . . . 0.0 114.884 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -62.78 144.22 56.72 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.585 1.154 . . . . 0.0 114.103 -175.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.3 p -137.25 148.79 46.69 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.088 1.355 . . . . 0.0 112.448 170.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.3 p -145.65 166.44 25.8 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.487 1.515 . . . . 0.0 112.093 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.3 mt -92.81 12.3 24.04 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.654 1.181 . . . . 0.0 114.112 -176.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.0 t -147.61 140.38 24.81 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.064 1.346 . . . . 0.0 111.907 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -68.03 -25.07 65.2 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.014 0.926 . . . . 0.0 113.005 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.88 -42.83 76.96 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 123.71 0.671 . . . . 0.0 111.783 171.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.75 -34.99 79.12 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.956 -0.732 . . . . 0.0 111.498 172.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.1 tp -66.74 -42.75 85.74 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.654 -0.654 . . . . 0.0 112.051 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.1 -46.83 87.29 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.199 0.6 . . . . 0.0 111.099 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.15 -42.17 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.746 0.818 . . . . 0.0 111.704 175.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -59.52 -47.75 84.31 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.932 0.787 . . . . 0.0 111.995 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.62 -45.63 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 121.444 -0.785 . . . . 0.0 111.046 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -63.21 -39.31 94.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.443 0.697 . . . . 0.0 112.829 178.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -80.0 -40.98 26.77 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -98.42 -36.36 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.96 0.904 . . . . 0.0 113.005 -169.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -170.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 119.737 -0.173 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.0 m -136.27 136.93 40.23 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.801 0.84 . . . . 0.0 112.451 -172.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -71.78 131.81 43.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.419 1.488 . . . . 0.0 111.834 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.08 -9.68 59.46 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -105.35 -32.33 8.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -175.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.08 6.97 3.94 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.9 t30 58.15 19.32 5.99 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.242 1.817 . . . . 0.0 115.593 175.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -68.66 151.55 46.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.5 1.12 . . . . 0.0 111.508 170.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -119.41 136.99 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.19 1.396 . . . . 0.0 110.914 -174.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -134.03 148.41 51.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.588 1.955 . . . . 0.0 111.458 -172.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -77.88 -24.19 48.57 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -138.17 151.65 47.93 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.342 1.057 . . . . 0.0 112.463 -169.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.29 -45.78 93.06 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.516 1.126 . . . . 0.0 112.345 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -66.38 -33.52 75.91 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.313 0.645 . . . . 0.0 112.594 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.9 m -63.32 -43.47 97.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.521 0.728 . . . . 0.0 111.647 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.88 -45.53 81.71 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 119.019 -0.515 . . . . 0.0 111.682 171.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.77 -40.58 84.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.731 1.15 . . . . 0.0 112.911 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 -34.52 70.8 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 175.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -64.85 -45.07 87.66 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.849 -0.532 . . . . 0.0 111.942 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -56.47 -25.33 50.57 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.296 1.039 . . . . 0.0 113.282 -175.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -50.91 -32.5 20.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.632 1.173 . . . . 0.0 113.976 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt . . . . . 0 N--CA 1.474 0.767 0 CA-C-N 119.669 1.122 . . . . 0.0 112.69 178.584 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.533 0.462 0 N-CA-C 113.951 0.712 . . . . 0.0 113.951 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -100.12 82.88 2.6 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.346 0.658 . . . . 0.0 111.896 -168.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -74.25 146.03 43.58 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.657 -0.652 . . . . 0.0 111.065 171.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.72 134.5 95.31 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.286 1.034 . . . . 0.0 110.51 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -71.78 -9.82 25.45 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.156 2.571 . . . . 0.0 112.92 173.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -120.02 -22.02 6.86 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.7 p -146.2 -170.25 3.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 120.837 1.653 . . . . 0.0 113.375 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -75.23 0.96 14.74 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.488 1.515 . . . . 0.0 114.193 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -66.96 150.84 48.67 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.91 1.684 . . . . 0.0 113.104 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.22 150.82 36.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.343 1.057 . . . . 0.0 113.443 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 t -133.15 155.02 50.07 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.287 1.835 . . . . 0.0 112.597 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.35 -1.95 43.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.94 1.296 . . . . 0.0 112.74 168.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mt -135.57 129.45 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.76 1.624 . . . . 0.0 109.912 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -65.96 -33.98 77.07 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.465 0.706 . . . . 0.0 112.534 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.1 96.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.911 0.884 . . . . 0.0 112.399 172.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -67.26 -35.42 79.49 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.189 -0.945 . . . . 0.0 111.762 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.08 -33.93 77.2 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.488 -0.757 . . . . 0.0 112.18 171.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -65.47 -39.44 91.96 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 120.019 1.281 . . . . 0.0 112.486 171.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.55 -23.24 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 124.722 1.209 . . . . 0.0 112.205 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -83.49 -44.8 14.32 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.148 0.979 . . . . 0.0 113.347 169.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.55 -32.05 72.94 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.343 -1.473 . . . . 0.0 113.226 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -62.56 -13.28 29.27 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 172.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -81.63 -26.19 35.02 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.944 1.298 . . . . 0.0 112.876 170.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 . . . . . 0 N--CA 1.471 0.605 0 C-N-CA 124.493 1.117 . . . . 0.0 113.408 175.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 CA--C 1.538 0.498 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.24 144.37 50.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.169 0.987 . . . . 0.0 113.308 -170.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.3 t -69.87 145.5 51.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.485 1.514 . . . . 0.0 112.69 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -91.6 -10.2 41.36 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.155 1.382 . . . . 0.0 112.504 176.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -117.38 -22.1 8.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.315 1.446 . . . . 0.0 113.662 -171.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 p -145.24 -171.63 3.7 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.755 1.622 . . . . 0.0 112.238 174.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 m -82.25 0.93 39.05 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.24 1.416 . . . . 0.0 114.586 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -63.42 144.17 57.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.536 1.135 . . . . 0.0 114.058 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.8 p -135.87 149.01 48.86 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.595 1.558 . . . . 0.0 112.058 171.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.9 p -146.45 173.11 12.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.549 1.54 . . . . 0.0 112.101 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 72.8 mt -100.93 11.59 39.3 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -173.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.1 t -147.85 140.37 24.54 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.547 1.139 . . . . 0.0 112.334 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.76 -29.88 71.04 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.872 0.869 . . . . 0.0 112.197 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.09 -42.67 91.78 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 123.833 0.73 . . . . 0.0 112.222 171.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.89 -35.18 80.32 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.728 -0.866 . . . . 0.0 111.632 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.06 -45.59 80.8 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.506 0.722 . . . . 0.0 111.53 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.5 -47.16 82.68 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.436 0.695 . . . . 0.0 111.071 175.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 67.9 t -61.53 -44.85 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.697 0.799 . . . . 0.0 111.496 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -57.12 -47.86 80.06 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.329 0.968 . . . . 0.0 111.672 175.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.64 -47.16 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.612 -0.68 . . . . 0.0 110.846 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -57.77 -46.6 84.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.021 0.928 . . . . 0.0 112.698 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -78.1 -35.7 48.98 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 t -102.25 -34.55 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -169.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 -169.071 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 112.06 -0.416 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -67.92 145.12 54.87 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.532 1.133 . . . . 0.0 113.13 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -80.18 150.13 30.25 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.577 1.151 . . . . 0.0 112.682 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.65 173.97 31.84 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.731 1.158 . . . . 0.0 114.888 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 p -93.35 -14.12 27.27 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.089 1.356 . . . . 0.0 114.596 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -151.31 157.84 43.04 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.28 1.432 . . . . 0.0 112.869 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.63 -170.75 45.99 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.923 1.249 . . . . 0.0 114.073 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -129.5 144.0 51.07 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.393 1.477 . . . . 0.0 111.963 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -135.9 144.99 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.591 1.956 . . . . 0.0 109.125 -172.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -120.2 135.26 55.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.972 1.309 . . . . 0.0 110.536 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.2 m -133.79 136.6 44.61 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.732 0.813 . . . . 0.0 112.142 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.12 134.05 45.55 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.402 1.481 . . . . 0.0 111.687 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -85.38 -7.92 58.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -104.77 -30.48 9.87 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -135.31 5.22 3.23 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 59.83 15.95 5.27 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.553 1.941 . . . . 0.0 115.596 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -64.67 151.04 45.97 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.055 -1.028 . . . . 0.0 112.06 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.52 137.37 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.543 1.537 . . . . 0.0 110.926 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -134.57 146.08 49.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.417 1.887 . . . . 0.0 111.604 -172.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -77.04 -25.46 52.54 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.502 1.121 . . . . 0.0 113.576 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -137.35 152.59 49.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.324 1.45 . . . . 0.0 112.051 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -64.11 -34.91 79.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.552 0.741 . . . . 0.0 112.81 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -65.34 -32.85 74.71 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.637 0.653 . . . . 0.0 112.739 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 m -68.2 -40.64 82.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.443 0.697 . . . . 0.0 111.64 173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.92 -44.04 86.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.018 0.527 . . . . 0.0 111.767 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -60.68 -39.66 89.27 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.157 -0.965 . . . . 0.0 112.613 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.1 67.79 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -66.58 -42.69 86.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.652 0.781 . . . . 0.0 112.301 173.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.4 mt -57.88 -19.8 32.0 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.507 1.123 . . . . 0.0 113.856 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -56.12 -29.36 60.55 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.786 1.235 . . . . 0.0 113.521 174.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 pt -73.9 -27.69 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.269 0.94 . . . . 0.0 112.662 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -88.01 -30.59 19.86 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.765 1.226 . . . . 0.0 112.377 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.3 p -76.07 -39.56 55.16 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.844 0.747 . . . . 0.0 111.826 169.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 46.96 44.29 14.55 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.506 1.922 . . . . 0.0 112.681 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.61 -6.85 59.39 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -167.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.73 122.37 80.33 Favored Pre-proline 0 N--CA 1.478 0.934 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.75 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -70.66 -39.51 4.72 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.957 2.438 . . . . 0.0 115.17 -169.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -93.08 87.12 5.61 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.598 0.759 . . . . 0.0 111.108 -171.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -92.33 140.96 29.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.296 1.438 . . . . 0.0 111.963 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.13 134.3 87.43 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 124.425 1.09 . . . . 0.0 110.719 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.06 -13.83 17.1 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.161 2.574 . . . . 0.0 112.45 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -102.78 -31.0 10.52 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -143.06 -176.23 4.83 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.755 1.161 . . . . 0.0 113.086 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -71.65 -0.66 11.35 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.106 1.362 . . . . 0.0 114.503 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.78 143.76 57.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.907 1.683 . . . . 0.0 113.645 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.15 154.8 43.54 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.532 1.133 . . . . 0.0 113.229 170.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -138.1 157.41 46.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.55 1.94 . . . . 0.0 112.233 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.21 -2.44 56.51 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.768 1.227 . . . . 0.0 113.451 169.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.7 mt -136.42 132.4 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.457 1.503 . . . . 0.0 110.608 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -66.07 -37.1 84.97 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.158 0.983 . . . . 0.0 112.669 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.48 -39.91 94.68 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.778 0.831 . . . . 0.0 112.118 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -68.77 -32.28 71.91 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.327 -0.858 . . . . 0.0 111.854 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.42 -37.51 87.15 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.242 -0.911 . . . . 0.0 111.671 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -64.13 -39.3 93.73 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.953 1.252 . . . . 0.0 112.521 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.38 -25.82 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.782 1.233 . . . . 0.0 112.215 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -80.56 -45.76 16.86 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.12 -36.21 76.97 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.782 -1.199 . . . . 0.0 112.708 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.61 -20.95 62.08 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -73.18 -28.32 62.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.106 0.962 . . . . 0.0 112.687 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -68.8 -10.3 55.97 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.046 0.938 . . . . 0.0 113.519 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.8 t -122.61 15.88 10.31 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.975 1.71 . . . . 0.0 112.599 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.24 -177.62 51.84 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.036 1.303 . . . . 0.0 114.073 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -139.49 137.13 35.27 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.949 1.3 . . . . 0.0 111.151 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -88.74 149.05 23.65 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.464 1.106 . . . . 0.0 112.78 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -117.33 135.18 54.03 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.937 2.095 . . . . 0.0 108.755 170.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.05 141.06 48.52 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.364 1.066 . . . . 0.0 112.938 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 36.3 t -65.69 145.54 55.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.103 1.361 . . . . 0.0 112.668 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -88.38 -10.51 49.09 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.797 1.239 . . . . 0.0 112.519 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -117.61 -22.4 8.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.24 1.416 . . . . 0.0 113.656 -171.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.8 p -146.19 -170.76 3.57 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.803 1.641 . . . . 0.0 112.196 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 m -83.68 1.77 40.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.274 1.43 . . . . 0.0 114.548 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -63.54 144.79 56.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.627 1.171 . . . . 0.0 114.06 -174.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 p -135.02 146.09 48.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.685 1.594 . . . . 0.0 111.92 170.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.8 p -145.4 172.01 13.79 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.924 1.29 . . . . 0.0 111.408 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tp -94.65 13.26 24.86 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -171.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -149.79 136.36 19.21 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.891 1.277 . . . . 0.0 112.106 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -62.87 -27.86 69.64 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 171.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.95 -44.21 69.13 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.873 0.749 . . . . 0.0 111.885 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -64.07 -36.0 82.59 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.93 -0.747 . . . . 0.0 111.39 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.75 -42.54 90.82 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.526 -0.734 . . . . 0.0 112.225 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -59.08 -40.2 84.49 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.661 -0.649 . . . . 0.0 111.325 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.46 -30.35 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.711 1.204 . . . . 0.0 112.43 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -64.92 -48.05 75.54 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.419 -1.426 . . . . 0.0 110.599 168.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.77 -46.52 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.789 0.836 . . . . 0.0 110.775 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -63.38 -27.72 69.5 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -92.19 -40.13 11.17 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.0 t -97.48 -34.37 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.023 0.929 . . . . 0.0 112.779 -169.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -116.04 -22.9 8.75 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -109.0 176.85 4.95 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.058 1.743 . . . . 0.0 111.151 170.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -85.69 143.45 28.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.367 1.067 . . . . 0.0 110.42 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.2 mt -76.35 131.11 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.225 1.01 . . . . 0.0 109.591 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.844 1.657 . . . . 0.0 112.462 -178.278 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 m -66.81 153.29 43.74 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.568 1.147 . . . . 0.0 113.163 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -106.79 168.8 8.94 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.028 1.731 . . . . 0.0 111.671 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.63 -18.72 59.47 Favored Glycine 0 CA--C 1.542 1.728 0 O-C-N 121.108 -0.995 . . . . 0.0 113.919 172.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -91.04 -7.27 52.35 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.94 1.696 . . . . 0.0 114.525 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 m -74.27 155.26 38.45 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.33 1.052 . . . . 0.0 112.812 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.71 -166.03 54.81 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.261 0.934 . . . . 0.0 114.103 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -143.31 159.63 42.0 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.579 1.552 . . . . 0.0 111.957 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.7 mt -137.22 142.49 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 127.174 2.189 . . . . 0.0 108.237 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -120.54 135.75 54.99 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.879 1.272 . . . . 0.0 110.796 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -135.0 134.59 40.64 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.459 0.704 . . . . 0.0 111.972 -170.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.5 t -74.96 127.57 33.54 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.206 1.403 . . . . 0.0 111.123 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.24 -8.49 59.76 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -102.91 -31.29 10.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.365 1.066 . . . . 0.0 113.747 -174.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 p -133.9 8.96 3.84 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 58.49 20.93 7.98 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.332 1.853 . . . . 0.0 115.55 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -73.31 151.31 41.36 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.637 1.175 . . . . 0.0 111.842 172.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.5 t -119.58 138.19 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.171 1.388 . . . . 0.0 110.764 -177.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -134.99 149.48 50.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.965 2.106 . . . . 0.0 111.114 -173.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -80.11 -27.39 39.2 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -176.238 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -131.9 154.62 49.03 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.031 0.932 . . . . 0.0 113.04 -173.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -60.32 -41.95 94.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.431 1.093 . . . . 0.0 111.974 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -66.37 -32.75 74.34 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.46 0.704 . . . . 0.0 112.793 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -65.77 -45.82 81.06 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.637 0.775 . . . . 0.0 111.414 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.86 -44.1 86.42 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 122.056 -0.403 . . . . 0.0 111.946 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -61.21 -39.37 89.98 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.537 1.062 . . . . 0.0 112.779 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.45 63.66 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -67.9 -43.73 78.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.325 0.65 . . . . 0.0 111.979 170.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.06 -21.43 45.6 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.899 1.279 . . . . 0.0 113.925 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -52.38 -28.11 18.35 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 pt -75.88 -23.94 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -100.81 -28.93 12.53 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.498 1.519 . . . . 0.0 113.556 -175.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.8 p -82.36 -87.71 0.09 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.165 0.986 . . . . 0.0 113.607 -171.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -156.53 162.57 39.92 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.809 1.244 . . . . 0.0 112.422 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -100.08 156.55 17.12 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.724 1.61 . . . . 0.0 112.314 174.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.33 128.51 82.36 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.469 1.107 . . . . 0.0 110.688 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -74.49 -39.83 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.227 2.618 . . . . 0.0 114.931 -171.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -87.41 77.01 8.96 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.779 0.8 . . . . 0.0 111.211 -171.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.28 143.59 33.53 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.77 1.628 . . . . 0.0 112.035 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.5 t -72.51 136.33 81.05 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 124.409 1.084 . . . . 0.0 111.245 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.44 -9.64 21.67 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.482 2.788 . . . . 0.0 113.093 172.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -116.8 -25.68 7.22 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -145.45 -174.46 4.4 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.386 1.448 . . . . 0.0 113.445 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -72.82 -1.21 15.79 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.313 1.445 . . . . 0.0 114.508 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.92 140.92 56.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.32 1.448 . . . . 0.0 112.983 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.08 150.23 35.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.824 1.25 . . . . 0.0 111.99 169.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -138.16 161.55 36.52 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.648 1.179 . . . . 0.0 113.446 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.7 -4.94 58.41 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.914 1.285 . . . . 0.0 112.854 169.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.0 mt -128.91 128.86 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.159 1.384 . . . . 0.0 110.71 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.78 -38.09 85.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.174 0.99 . . . . 0.0 113.065 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.13 67.86 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.629 0.772 . . . . 0.0 112.943 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -70.71 -41.68 71.59 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.146 -0.971 . . . . 0.0 110.533 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.77 -38.43 85.24 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.636 -0.665 . . . . 0.0 111.787 169.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -60.34 -43.22 96.67 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.053 0.842 . . . . 0.0 112.092 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.52 -36.09 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.643 0.777 . . . . 0.0 111.754 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -63.93 -43.05 97.03 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.453 -0.779 . . . . 0.0 112.883 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.23 -33.17 71.89 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.054 -1.029 . . . . 0.0 112.672 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 -62.5 -20.35 64.51 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.979 0.912 . . . . 0.0 113.396 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -77.73 -23.36 49.4 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.571 1.148 . . . . 0.0 113.466 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -74.63 -0.46 17.97 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.1 t -55.12 -24.82 27.92 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.534 1.534 . . . . 0.0 113.573 169.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -142.88 167.64 26.24 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.589 1.566 . . . . 0.0 112.701 171.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -150.64 159.32 44.59 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.815 1.246 . . . . 0.0 112.602 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -131.31 156.44 45.47 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.872 1.269 . . . . 0.0 112.706 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -124.03 154.25 40.16 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.301 2.241 . . . . 0.0 109.663 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.89 141.89 48.63 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.013 0.925 . . . . 0.0 112.91 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.9 t -66.32 145.34 55.84 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.858 1.263 . . . . 0.0 112.057 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -87.87 -9.76 52.77 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.583 1.153 . . . . 0.0 112.659 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -120.96 -19.8 7.1 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.034 1.334 . . . . 0.0 114.13 -170.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.73 -173.8 4.31 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.304 1.442 . . . . 0.0 112.445 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 m -79.41 0.72 28.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.338 1.455 . . . . 0.0 114.632 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.98 143.15 58.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.43 1.092 . . . . 0.0 113.513 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -130.52 152.51 49.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.069 1.348 . . . . 0.0 111.765 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 t -139.78 159.09 42.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.238 1.415 . . . . 0.0 112.084 -171.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.8 mt -90.96 -4.42 56.49 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.921 1.288 . . . . 0.0 113.387 174.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.3 t -144.29 134.19 23.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.229 1.412 . . . . 0.0 111.998 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -64.92 -26.32 68.26 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.785 0.834 . . . . 0.0 113.179 171.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.22 -47.17 54.32 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.87 0.747 . . . . 0.0 112.132 174.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -70.78 -30.05 66.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.556 -0.967 . . . . 0.0 112.196 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.71 -38.77 92.12 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.11 -0.994 . . . . 0.0 112.092 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.92 -42.72 99.42 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.376 -0.828 . . . . 0.0 111.163 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.0 -41.07 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.003 0.82 . . . . 0.0 111.724 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -58.52 -49.51 77.13 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.136 0.88 . . . . 0.0 111.84 171.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.8 -47.92 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.106 -0.997 . . . . 0.0 111.433 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -67.95 -21.34 65.1 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -102.26 -34.52 9.2 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.73 -40.23 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.283 1.033 . . . . 0.0 112.154 -172.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -102.76 -25.66 13.44 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.7 0.8 . . . . 0.0 112.846 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -109.85 165.52 11.64 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.186 1.794 . . . . 0.0 110.356 168.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 52.97 28.6 6.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.882 1.673 . . . . 0.0 114.229 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.6 tp -108.85 146.08 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 126.633 1.973 . . . . 0.0 111.424 -172.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.618 1.567 . . . . 0.0 112.082 -178.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.49 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -62.8 -24.5 67.78 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -171.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -80.45 -0.57 37.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.149 1.38 . . . . 0.0 114.029 175.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.13 137.72 5.8 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.737 1.636 . . . . 0.0 112.345 -170.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 p -155.19 160.0 40.55 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.054 1.342 . . . . 0.0 112.518 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -74.34 162.58 28.74 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.973 1.309 . . . . 0.0 113.041 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.06 166.02 48.17 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 124.337 0.97 . . . . 0.0 114.146 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -68.15 157.99 34.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.358 1.063 . . . . 0.0 113.466 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.3 mt -126.91 146.47 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.369 1.867 . . . . 0.0 109.801 -173.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -118.82 139.5 51.51 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.479 1.512 . . . . 0.0 111.001 -175.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -136.14 135.73 39.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.705 0.802 . . . . 0.0 111.988 -171.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.5 t -71.12 133.11 45.98 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.2 1.4 . . . . 0.0 111.759 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -84.26 -9.17 58.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -105.21 -31.19 9.23 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.424 1.09 . . . . 0.0 113.767 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -134.5 7.15 3.56 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 m120 59.74 14.69 4.25 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.435 1.894 . . . . 0.0 115.968 174.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -65.69 151.53 46.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.557 1.143 . . . . 0.0 111.926 171.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.15 137.02 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.36 1.464 . . . . 0.0 110.881 -174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -135.53 148.19 49.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.465 1.906 . . . . 0.0 111.721 -172.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -77.11 -28.75 54.51 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -135.14 157.39 47.05 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.478 1.111 . . . . 0.0 113.024 -174.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -59.48 -42.12 91.35 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.818 1.247 . . . . 0.0 112.131 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -67.46 -32.89 74.05 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.405 0.682 . . . . 0.0 112.768 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 m -65.36 -45.76 82.86 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.619 0.768 . . . . 0.0 111.45 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.07 -45.58 84.74 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 122.082 -0.386 . . . . 0.0 111.779 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -60.35 -38.69 84.64 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.01 -1.056 . . . . 0.0 112.878 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.93 -29.72 63.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -68.8 -43.7 75.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.796 0.838 . . . . 0.0 112.264 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.6 mt -57.79 -19.07 25.63 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.592 1.157 . . . . 0.0 113.649 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -57.03 -21.25 29.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.827 1.251 . . . . 0.0 114.361 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 pt -80.26 -24.43 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.788 1.177 . . . . 0.0 113.436 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -93.52 -21.77 19.26 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.026 1.33 . . . . 0.0 113.281 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.5 p -80.86 -177.0 6.17 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.755 1.222 . . . . 0.0 112.055 171.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -52.94 151.37 4.69 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.288 1.435 . . . . 0.0 113.148 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.06 152.01 21.01 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 175.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -132.77 80.92 60.05 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.386 1.474 . . . . 0.0 110.771 -169.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -66.78 -33.12 35.39 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.525 2.817 . . . . 0.0 114.801 -173.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -84.8 90.48 7.76 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.876 0.87 . . . . 0.0 110.849 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.39 141.55 31.14 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.319 1.448 . . . . 0.0 112.397 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.9 t -72.19 132.82 83.98 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.439 1.096 . . . . 0.0 111.042 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -78.92 -8.09 15.53 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.428 2.752 . . . . 0.0 112.975 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -110.27 -29.82 7.98 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 p -145.87 179.76 7.24 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.062 1.301 . . . . 0.0 113.314 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -75.56 42.05 0.21 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.334 1.854 . . . . 0.0 113.64 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -110.33 141.91 42.71 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.625 1.97 . . . . 0.0 112.587 -176.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.34 154.65 41.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.256 1.022 . . . . 0.0 112.525 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 t -143.22 167.52 21.93 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.843 1.657 . . . . 0.0 112.825 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.96 0.91 44.95 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.683 1.593 . . . . 0.0 113.481 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.3 mt -133.5 130.93 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.612 1.165 . . . . 0.0 111.148 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -64.55 -41.17 96.5 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.577 1.151 . . . . 0.0 113.006 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.25 83.39 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.741 0.817 . . . . 0.0 112.438 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -66.79 -40.31 88.09 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.522 -0.736 . . . . 0.0 111.63 173.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.2 -35.78 81.91 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.819 0.736 . . . . 0.0 112.167 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -62.45 -43.27 99.21 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.568 1.076 . . . . 0.0 112.118 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.98 -32.6 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 121.394 -0.816 . . . . 0.0 111.897 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -69.16 -41.73 76.85 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.415 -0.803 . . . . 0.0 112.897 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.41 -31.56 72.75 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.544 -1.348 . . . . 0.0 112.309 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -63.04 -11.68 21.03 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 170.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -83.32 -22.32 32.95 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.861 1.264 . . . . 0.0 113.323 169.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -89.95 -25.85 20.69 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.541 1.137 . . . . 0.0 113.912 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 t -73.69 158.17 35.18 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.424 0.69 . . . . 0.0 112.038 171.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.01 -175.99 41.23 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.929 0.776 . . . . 0.0 114.72 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -86.13 169.77 12.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.687 1.595 . . . . 0.0 113.303 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -76.22 157.45 32.64 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.416 1.486 . . . . 0.0 112.581 171.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -119.56 150.0 41.0 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.405 2.282 . . . . 0.0 109.453 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.34 143.05 50.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.35 1.06 . . . . 0.0 112.897 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 39.5 t -65.01 143.5 57.9 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.1 1.36 . . . . 0.0 112.104 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -87.16 -9.4 55.34 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.575 1.15 . . . . 0.0 112.58 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -119.66 -21.42 7.31 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.135 1.374 . . . . 0.0 113.772 -170.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.76 -168.19 2.91 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.57 1.548 . . . . 0.0 112.255 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.9 p -85.04 -0.03 53.08 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.704 1.602 . . . . 0.0 114.808 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -62.85 145.63 54.6 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.575 1.15 . . . . 0.0 113.792 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.4 p -135.42 152.64 51.59 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.606 1.562 . . . . 0.0 111.882 173.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.6 t -145.24 156.28 43.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.498 1.119 . . . . 0.0 111.74 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.65 -9.12 59.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.375 1.07 . . . . 0.0 112.877 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.5 m -129.33 125.57 37.0 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.326 1.45 . . . . 0.0 111.946 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.85 -31.02 70.56 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.999 0.92 . . . . 0.0 113.002 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.51 -42.08 97.65 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.721 0.676 . . . . 0.0 112.818 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -68.87 -34.87 76.17 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.534 -0.98 . . . . 0.0 111.772 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.0 tp -63.04 -40.5 97.91 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.281 -0.887 . . . . 0.0 112.021 170.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -62.72 -40.91 98.66 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.175 -0.953 . . . . 0.0 111.382 173.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.87 -41.59 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.478 0.711 . . . . 0.0 111.815 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -57.8 -44.42 86.31 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.365 0.984 . . . . 0.0 111.721 171.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.68 -45.58 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 O-C-N 121.372 -0.83 . . . . 0.0 111.245 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -64.68 -34.17 77.68 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -85.76 -37.3 19.46 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.6 t -102.01 -34.85 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.114 0.966 . . . . 0.0 112.587 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -116.62 -4.9 11.66 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -170.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -126.42 163.16 23.91 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.915 1.686 . . . . 0.0 111.886 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -137.95 158.4 44.42 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.235 1.814 . . . . 0.0 111.773 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.0 tt -143.91 147.31 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.922 1.689 . . . . 0.0 110.818 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--O 1.25 1.111 0 C-N-CA 126.045 1.738 . . . . 0.0 111.247 178.814 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -147.93 158.47 44.06 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.205 1.402 . . . . 0.0 111.657 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 m -68.52 142.71 55.18 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.699 1.2 . . . . 0.0 113.01 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.54 177.32 53.86 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.461 1.029 . . . . 0.0 113.994 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -73.37 159.69 32.94 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.654 1.182 . . . . 0.0 112.752 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -69.9 141.04 53.2 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.548 -0.72 . . . . 0.0 112.596 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.23 -0.63 88.58 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.902 1.239 . . . . 0.0 115.377 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -70.22 155.55 40.48 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.087 1.444 . . . . 0.0 113.7 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.0 mt -133.7 145.54 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.52 1.928 . . . . 0.0 109.227 -175.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -114.11 137.33 51.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.152 1.381 . . . . 0.0 111.016 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -136.31 135.51 38.98 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.684 0.793 . . . . 0.0 111.756 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.6 t -73.21 128.52 35.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.214 1.406 . . . . 0.0 111.28 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.34 -7.84 59.64 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -104.48 -31.81 9.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.39 1.076 . . . . 0.0 113.827 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.7 8.19 3.85 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.0 t30 58.4 20.18 7.13 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.443 1.897 . . . . 0.0 115.592 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -71.21 151.2 44.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.529 1.132 . . . . 0.0 111.794 171.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.65 137.5 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.287 1.435 . . . . 0.0 110.793 -175.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -135.67 148.57 48.98 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.452 1.901 . . . . 0.0 111.726 -172.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -77.49 -29.19 52.48 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -175.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -134.57 157.54 46.29 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.593 1.157 . . . . 0.0 113.08 -173.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -60.12 -42.46 94.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.564 1.145 . . . . 0.0 111.982 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -66.32 -32.11 73.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.419 0.688 . . . . 0.0 112.752 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.5 m -66.14 -45.88 79.46 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.659 0.784 . . . . 0.0 111.495 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.84 -42.7 90.17 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 122.011 -0.431 . . . . 0.0 112.014 173.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -61.6 -39.03 89.78 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.129 -0.982 . . . . 0.0 112.817 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.99 -32.79 67.57 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.681 -0.637 . . . . 0.0 112.685 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -67.11 -41.77 85.67 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.513 0.725 . . . . 0.0 112.551 171.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.8 mt -59.66 -15.68 21.05 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.942 1.297 . . . . 0.0 114.068 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -56.21 -22.52 29.8 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.938 1.295 . . . . 0.0 113.939 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 pt -84.34 -25.08 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 176.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -100.0 -27.4 13.59 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.097 1.359 . . . . 0.0 113.717 -175.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.5 p -78.13 -170.83 2.11 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.665 1.586 . . . . 0.0 113.048 -177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 68.52 149.11 0.07 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.796 2.439 . . . . 0.0 114.041 -168.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -77.34 -18.05 57.76 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -172.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.05 122.05 75.16 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 124.015 0.926 . . . . 0.0 110.183 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.89 -36.18 2.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.669 2.246 . . . . 0.0 115.788 -168.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -83.57 82.04 8.48 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.354 0.661 . . . . 0.0 111.4 -172.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.92 141.87 45.97 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.862 1.265 . . . . 0.0 111.731 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -72.06 135.81 82.43 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 124.798 1.239 . . . . 0.0 110.796 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.25 -9.34 17.67 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.618 2.879 . . . . 0.0 112.97 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -111.19 -27.95 8.48 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.3 p -141.45 -176.77 4.85 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 120.183 1.356 . . . . 0.0 112.833 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 p -73.1 0.46 11.48 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.04 143.93 57.34 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.642 1.577 . . . . 0.0 113.371 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.85 151.59 38.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.781 1.233 . . . . 0.0 111.858 169.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 t -132.84 161.91 32.93 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.219 1.408 . . . . 0.0 113.312 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.4 -4.75 56.83 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.071 1.348 . . . . 0.0 113.49 170.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.7 mt -132.23 129.69 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.49 1.116 . . . . 0.0 110.659 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -66.94 -38.21 85.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.917 0.887 . . . . 0.0 112.576 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.95 -31.45 72.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.116 0.966 . . . . 0.0 112.957 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.12 -41.46 73.9 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.369 -0.832 . . . . 0.0 111.445 172.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.5 -37.19 82.78 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.833 0.742 . . . . 0.0 111.927 171.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.0 -32.35 70.78 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.987 0.915 . . . . 0.0 112.539 175.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.9 t -84.4 -31.32 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.58 1.152 . . . . 0.0 112.198 173.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -65.3 -38.93 91.71 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.824 -1.172 . . . . 0.0 112.518 172.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.27 -30.5 71.16 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.805 -1.184 . . . . 0.0 112.681 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -65.59 -9.89 30.7 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 172.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -83.4 -19.62 35.69 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.73 1.212 . . . . 0.0 112.574 168.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -95.65 15.2 20.61 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.239 1.816 . . . . 0.0 114.138 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.8 p -72.33 -10.72 60.16 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.802 1.241 . . . . 0.0 114.087 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.7 -173.54 25.31 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 126.163 1.84 . . . . 0.0 112.301 174.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -130.3 136.53 49.24 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.041 1.337 . . . . 0.0 110.975 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -85.6 148.52 25.88 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -117.47 141.75 47.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.866 2.466 . . . . 0.0 107.96 168.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.95 142.85 50.36 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -170.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.1 t -67.05 143.44 56.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.15 1.38 . . . . 0.0 112.19 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -88.39 -9.5 52.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.671 1.188 . . . . 0.0 112.502 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -118.88 -20.44 8.17 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.147 1.379 . . . . 0.0 113.872 -169.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.6 p -148.25 -169.33 3.32 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.565 1.546 . . . . 0.0 112.232 174.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -82.5 0.74 41.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.434 1.494 . . . . 0.0 114.701 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -62.8 143.44 57.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.255 1.022 . . . . 0.0 113.742 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.1 p -138.01 150.8 47.29 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.23 1.412 . . . . 0.0 111.783 169.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.8 t -145.36 164.26 32.03 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.354 1.062 . . . . 0.0 111.96 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.55 5.58 34.89 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.048 1.339 . . . . 0.0 114.236 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 p -140.71 147.93 39.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.814 0.846 . . . . 0.0 112.968 170.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.75 -30.7 69.37 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.171 0.988 . . . . 0.0 112.003 174.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.09 -46.64 90.66 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.155 0.883 . . . . 0.0 112.828 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -67.63 -33.72 75.54 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.183 0.992 . . . . 0.0 111.588 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.3 tp -66.23 -41.16 90.45 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.454 -0.779 . . . . 0.0 112.178 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.87 -44.62 94.07 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.511 0.724 . . . . 0.0 111.117 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.8 t -61.82 -44.46 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 118.835 -0.602 . . . . 0.0 111.296 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -56.29 -48.29 76.92 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.568 1.076 . . . . 0.0 111.826 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.55 -45.94 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 121.421 -0.8 . . . . 0.0 111.267 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -71.39 -25.16 62.23 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -95.63 -33.96 12.17 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.74 -39.98 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.921 0.888 . . . . 0.0 112.375 -174.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -106.17 -23.76 12.51 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -171.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -94.08 152.43 18.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.276 1.03 . . . . 0.0 110.748 168.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -79.0 153.63 30.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.139 1.375 . . . . 0.0 111.869 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.9 tt -73.45 144.14 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.761 1.224 . . . . 0.0 111.293 175.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--O 1.252 1.189 0 C-N-CA 126.519 1.928 . . . . 0.0 111.262 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.472 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -137.33 155.01 49.93 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.127 1.371 . . . . 0.0 112.065 -175.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 m -80.01 52.16 1.47 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.696 1.599 . . . . 0.0 113.273 -176.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.76 168.69 49.29 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.006 1.289 . . . . 0.0 114.457 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -146.29 150.04 35.01 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.347 1.459 . . . . 0.0 111.789 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 m -77.28 -11.07 59.78 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.825 1.25 . . . . 0.0 113.536 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.36 -139.84 40.37 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.027 0.822 . . . . 0.0 112.584 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -127.35 142.39 51.45 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.201 1.4 . . . . 0.0 111.294 173.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -132.44 143.29 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 126.175 1.79 . . . . 0.0 109.049 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -123.06 129.97 52.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.94 1.296 . . . . 0.0 110.215 -171.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.7 m -130.61 136.41 48.84 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.699 0.8 . . . . 0.0 112.408 -169.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -71.05 130.6 41.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.26 1.424 . . . . 0.0 111.598 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.69 -7.63 59.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -106.62 -31.72 8.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.48 1.112 . . . . 0.0 113.884 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 p -133.05 6.57 3.92 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.7 15.5 4.78 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.374 1.87 . . . . 0.0 115.803 175.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -64.01 148.34 49.92 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.445 1.098 . . . . 0.0 111.762 170.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.8 t -118.25 136.11 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.343 1.457 . . . . 0.0 110.718 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -132.62 145.2 50.9 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.519 1.928 . . . . 0.0 110.997 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -79.56 -17.91 52.92 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -138.85 148.4 43.66 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.239 1.416 . . . . 0.0 111.725 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -65.3 -36.85 85.33 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -63.33 -33.24 75.1 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 m -67.15 -41.16 86.5 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.574 0.749 . . . . 0.0 111.553 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -67.06 -44.39 80.24 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 122.071 -0.393 . . . . 0.0 111.81 173.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -58.79 -41.91 87.8 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.225 0.92 . . . . 0.0 112.239 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.12 -30.69 63.81 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -68.17 -44.44 75.93 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.326 0.65 . . . . 0.0 111.9 172.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.93 -23.35 53.06 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.6 1.16 . . . . 0.0 113.749 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -50.64 -34.49 26.46 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.173 0.989 . . . . 0.0 113.597 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 pt -69.42 -25.88 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -96.29 -39.26 9.73 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.114 1.366 . . . . 0.0 112.505 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.2 p -83.22 -32.99 26.2 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -172.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -85.56 -179.04 6.82 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.033 0.933 . . . . 0.0 113.039 -173.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 67.2 6.85 5.05 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.498 2.319 . . . . 0.0 115.994 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -88.26 127.32 57.57 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.068 0.947 . . . . 0.0 109.199 168.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.93 -39.04 6.63 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.168 2.579 . . . . 0.0 114.632 -170.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.79 90.73 6.66 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.304 0.642 . . . . 0.0 110.787 -172.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -96.91 137.6 35.75 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.218 1.407 . . . . 0.0 112.61 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -74.97 126.67 87.97 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 126.182 1.793 . . . . 0.0 110.596 173.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.57 -6.89 17.4 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.042 2.495 . . . . 0.0 113.103 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -111.81 -22.17 11.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -170.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.5 p -140.18 10.4 2.34 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m 60.34 14.55 4.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.805 1.642 . . . . 0.0 115.324 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.6 152.61 21.78 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.074 1.75 . . . . 0.0 110.419 168.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.18 150.36 40.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.1 t -139.22 159.72 41.49 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.529 1.532 . . . . 0.0 113.035 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.09 -3.86 58.52 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.316 1.447 . . . . 0.0 113.44 170.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.5 mt -126.86 129.15 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.954 1.302 . . . . 0.0 110.646 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -65.57 -43.03 91.05 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.143 0.977 . . . . 0.0 112.665 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.15 72.09 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.892 0.877 . . . . 0.0 112.832 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -66.93 -41.91 86.2 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.234 -0.916 . . . . 0.0 111.423 173.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.89 -38.31 90.62 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.747 0.703 . . . . 0.0 111.644 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.8 -37.38 78.95 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.739 0.816 . . . . 0.0 112.353 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -77.07 -35.66 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.19 0.996 . . . . 0.0 111.971 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -63.4 -39.28 94.08 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.997 -1.064 . . . . 0.0 113.117 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.7 mt -62.94 -28.89 70.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.938 -1.101 . . . . 0.0 112.815 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -61.99 -17.92 58.75 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 171.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -75.96 -24.55 55.45 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.352 0.978 . . . . 0.0 112.63 171.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -89.98 75.01 7.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.239 1.415 . . . . 0.0 112.119 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.4 p -125.9 151.43 46.92 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.286 1.434 . . . . 0.0 112.353 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 155.87 170.04 20.79 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.836 1.208 . . . . 0.0 113.342 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -69.42 158.87 34.28 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.521 1.129 . . . . 0.0 112.01 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -111.62 152.51 27.55 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -169.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -123.68 142.68 50.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.508 2.323 . . . . 0.0 107.883 168.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.73 141.91 51.28 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.005 0.82 . . . . 0.0 113.076 -172.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.24 145.43 56.01 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.206 1.403 . . . . 0.0 112.341 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -86.83 -9.62 55.37 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.601 1.16 . . . . 0.0 112.634 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -121.9 -21.98 5.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.935 1.294 . . . . 0.0 114.15 -171.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.0 p -143.14 -171.7 3.53 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.262 1.425 . . . . 0.0 112.461 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.1 p -82.87 1.26 40.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.689 1.596 . . . . 0.0 114.729 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -62.62 139.86 58.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.499 1.12 . . . . 0.0 113.637 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -123.22 148.09 46.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.929 1.691 . . . . 0.0 111.614 170.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.4 t -136.51 153.99 50.86 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.304 1.442 . . . . 0.0 112.07 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.59 -7.47 59.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.268 1.427 . . . . 0.0 112.923 174.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -142.13 133.67 26.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.209 1.404 . . . . 0.0 112.114 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -65.29 -27.39 68.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.002 0.921 . . . . 0.0 112.989 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.32 -46.89 46.92 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.019 0.819 . . . . 0.0 112.049 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -69.78 -30.21 67.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.814 -0.815 . . . . 0.0 112.121 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.45 -39.48 93.89 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.262 -0.898 . . . . 0.0 112.285 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.63 -40.7 95.8 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.34 -0.85 . . . . 0.0 111.394 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 90.1 t -62.74 -43.34 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.617 0.767 . . . . 0.0 111.687 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -57.17 -47.99 79.84 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.094 0.861 . . . . 0.0 111.608 172.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.21 -50.97 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 121.612 -0.68 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -59.55 -39.81 85.2 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.989 0.915 . . . . 0.0 113.038 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -85.3 -36.54 20.78 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.5 t -95.45 -35.62 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.563 0.745 . . . . 0.0 112.452 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -119.47 -40.02 2.83 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -170.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -89.94 7.81 35.51 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -56.57 -28.44 60.21 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.207 1.403 . . . . 0.0 113.041 172.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.7 tp -76.9 -9.41 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 125.684 1.593 . . . . 0.0 114.39 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 128.031 2.533 . . . . 0.0 113.743 -177.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -77.05 162.99 27.07 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.933 1.293 . . . . 0.0 113.267 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 m -65.45 152.41 44.01 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.793 1.237 . . . . 0.0 113.174 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.53 -165.54 28.92 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.64 1.114 . . . . 0.0 113.379 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -68.95 157.37 36.83 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.985 0.914 . . . . 0.0 113.324 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 m -67.3 140.16 57.3 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.179 0.992 . . . . 0.0 112.668 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.14 25.81 3.53 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.195 1.379 . . . . 0.0 114.993 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.59 158.18 32.81 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.385 1.474 . . . . 0.0 112.939 -175.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 mt -140.03 135.62 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 125.624 1.57 . . . . 0.0 108.977 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -133.78 132.76 40.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.31 1.844 . . . . 0.0 109.456 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.4 m -129.17 135.61 49.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.441 0.696 . . . . 0.0 112.547 -169.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -73.53 128.76 36.38 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.24 1.416 . . . . 0.0 111.245 174.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.09 -8.81 59.58 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -103.97 -31.22 9.83 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -174.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.91 3.35 3.47 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 60.9 17.73 8.09 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.286 1.834 . . . . 0.0 115.698 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -63.45 149.41 46.1 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.04 -1.038 . . . . 0.0 111.273 168.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -123.6 138.64 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.135 1.374 . . . . 0.0 111.102 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -134.62 151.06 50.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.172 2.189 . . . . 0.0 110.976 -172.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -80.13 -27.73 39.05 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.298 1.039 . . . . 0.0 113.4 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -129.06 150.9 50.27 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.721 1.208 . . . . 0.0 112.642 -173.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.95 -41.18 97.69 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.341 1.057 . . . . 0.0 112.38 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -64.14 -33.61 76.17 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 m -66.91 -42.65 85.08 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.505 0.722 . . . . 0.0 111.721 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.4 tp -67.51 -44.32 78.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.658 0.383 . . . . 0.0 111.659 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -59.65 -40.46 87.78 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.171 0.896 . . . . 0.0 112.504 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.99 -31.89 64.8 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.29 -43.62 81.27 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.74 -0.6 . . . . 0.0 112.084 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.1 mt -59.27 -22.03 60.52 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.501 1.12 . . . . 0.0 113.934 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -52.0 -29.6 21.49 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.728 1.211 . . . . 0.0 113.985 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 pt -72.58 -34.16 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 118.467 0.576 . . . . 0.0 111.766 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -91.56 -35.8 14.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.923 1.289 . . . . 0.0 113.436 -175.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.9 p -75.33 140.07 42.85 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.508 0.723 . . . . 0.0 111.693 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -112.17 15.76 20.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -66.49 -20.08 65.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.374 1.07 . . . . 0.0 113.841 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -124.51 103.69 31.79 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 126.177 1.791 . . . . 0.0 109.372 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.93 -34.85 6.06 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.208 2.605 . . . . 0.0 114.823 -170.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -83.81 74.82 10.15 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.951 0.881 . . . . 0.0 111.345 -173.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -77.4 143.11 38.9 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.728 2.011 . . . . 0.0 111.673 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.0 t -73.14 136.17 79.39 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.36 1.064 . . . . 0.0 111.103 173.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.23 -9.22 21.7 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.385 2.723 . . . . 0.0 113.145 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -118.72 -23.76 6.92 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.6 p -145.03 -172.27 3.81 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 120.435 1.471 . . . . 0.0 112.967 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.1 p -73.94 -4.48 35.42 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -55.8 139.63 44.83 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.0 1.32 . . . . 0.0 113.173 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.15 151.31 36.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.184 1.394 . . . . 0.0 111.279 168.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t -145.45 172.59 12.98 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.239 1.015 . . . . 0.0 113.247 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.49 0.1 44.46 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.131 1.772 . . . . 0.0 113.692 175.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.3 mt -129.98 128.9 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.074 1.35 . . . . 0.0 110.317 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -66.86 -37.74 85.02 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.372 1.069 . . . . 0.0 112.99 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.89 74.4 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.471 0.708 . . . . 0.0 112.472 173.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -69.61 -39.37 77.25 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.36 -0.837 . . . . 0.0 111.302 175.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.29 -38.13 85.67 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.741 -0.599 . . . . 0.0 112.105 170.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -63.28 -44.12 95.97 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.662 1.119 . . . . 0.0 112.09 173.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.17 -23.98 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.675 1.19 . . . . 0.0 112.523 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -78.18 -43.83 27.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.48 1.112 . . . . 0.0 113.193 169.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.04 -31.2 70.84 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.746 -1.221 . . . . 0.0 112.401 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 mtp-105 -58.62 -15.53 12.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.789 1.236 . . . . 0.0 114.248 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -91.98 -14.21 29.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.682 1.593 . . . . 0.0 113.823 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -79.59 57.28 2.41 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.572 1.149 . . . . 0.0 111.815 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.7 p -129.1 13.09 6.19 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.126 2.171 . . . . 0.0 112.705 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.94 -10.64 61.92 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.326 1.441 . . . . 0.0 115.799 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -121.74 125.75 47.29 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.989 1.315 . . . . 0.0 110.431 169.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -136.0 148.49 48.44 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.56 1.544 . . . . 0.0 110.17 173.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -93.82 130.6 39.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.558 1.543 . . . . 0.0 108.828 175.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.72 141.45 47.24 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.396 1.078 . . . . 0.0 113.855 -169.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 t -68.59 143.62 54.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.09 1.356 . . . . 0.0 112.19 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.41 -8.47 50.52 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.749 1.22 . . . . 0.0 112.423 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -117.37 -22.13 8.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.254 1.422 . . . . 0.0 113.461 -169.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -146.12 -168.16 2.92 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.923 1.689 . . . . 0.0 112.236 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.9 p -84.61 1.07 47.8 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.8 1.64 . . . . 0.0 114.897 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.66 138.74 58.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.299 1.04 . . . . 0.0 113.42 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.1 p -139.55 142.63 37.19 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.201 1.4 . . . . 0.0 111.127 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.4 t -141.38 159.0 43.13 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.13 0.972 . . . . 0.0 113.009 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.55 -12.1 60.38 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.961 1.304 . . . . 0.0 113.164 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.3 t -125.24 131.92 53.04 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.141 1.376 . . . . 0.0 112.423 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -69.01 -30.69 69.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.727 1.211 . . . . 0.0 112.038 172.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.64 -43.37 85.57 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 123.879 0.752 . . . . 0.0 112.179 172.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.44 -35.51 81.17 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.684 -0.892 . . . . 0.0 111.51 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.02 -43.68 91.64 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.415 -0.803 . . . . 0.0 111.898 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -59.13 -42.54 90.86 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.659 -0.65 . . . . 0.0 111.328 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.73 -42.29 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.329 1.052 . . . . 0.0 111.854 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -57.28 -46.96 82.6 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.112 0.869 . . . . 0.0 111.434 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.82 -48.07 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 121.477 -0.764 . . . . 0.0 110.682 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -59.84 -33.49 71.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.552 1.141 . . . . 0.0 113.927 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -96.02 -35.76 11.27 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -174.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.5 t -97.07 -37.1 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.991 0.916 . . . . 0.0 112.431 -171.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -111.84 -36.22 5.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.701 0.8 . . . . 0.0 113.127 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -91.48 173.74 7.74 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.153 1.781 . . . . 0.0 110.833 169.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -108.37 142.6 38.45 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.769 1.628 . . . . 0.0 111.335 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.67 153.81 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.892 1.677 . . . . 0.0 111.989 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.073 1.749 . . . . 0.0 111.409 -179.638 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -76.22 155.64 34.27 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.655 1.182 . . . . 0.0 113.226 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 m -76.79 147.03 37.48 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.527 1.131 . . . . 0.0 112.901 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.81 -152.09 52.53 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.336 0.97 . . . . 0.0 114.396 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -147.47 160.68 42.32 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.691 1.596 . . . . 0.0 111.254 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m -133.88 150.36 51.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.294 1.438 . . . . 0.0 112.763 -172.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.58 170.19 37.06 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.827 1.203 . . . . 0.0 114.845 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -151.58 176.94 10.84 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.597 1.959 . . . . 0.0 111.753 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.7 mt -100.11 149.39 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 126.293 1.837 . . . . 0.0 109.15 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.09 139.63 52.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.56 1.544 . . . . 0.0 110.67 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.1 m -136.03 137.83 41.57 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.693 0.797 . . . . 0.0 112.384 -169.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.5 t -69.01 133.71 48.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.722 1.609 . . . . 0.0 111.942 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.43 -9.25 58.56 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.48 -31.11 9.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.414 1.086 . . . . 0.0 113.868 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -136.19 3.65 2.89 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.13 15.77 6.58 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -62.92 146.42 52.98 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.945 -1.097 . . . . 0.0 111.6 169.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -115.72 137.73 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.574 1.55 . . . . 0.0 110.927 -172.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -134.76 149.26 50.4 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.326 1.85 . . . . 0.0 111.895 -172.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -71.94 -29.35 64.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.433 1.093 . . . . 0.0 113.622 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -140.38 152.75 46.01 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.686 1.194 . . . . 0.0 111.982 -169.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -66.69 -35.92 81.29 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -66.54 -35.49 80.36 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.693 0.679 . . . . 0.0 112.212 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 m -64.09 -42.23 97.01 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.503 0.721 . . . . 0.0 111.798 173.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.41 -44.73 86.52 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.898 -0.501 . . . . 0.0 111.969 172.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -58.49 -39.66 80.61 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.949 -1.094 . . . . 0.0 112.396 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.33 -30.22 65.94 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -69.73 -44.31 70.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.494 0.717 . . . . 0.0 112.053 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.58 -18.38 29.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.888 1.275 . . . . 0.0 113.654 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -52.96 -33.76 52.56 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.968 0.907 . . . . 0.0 113.318 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 pt -70.21 -25.8 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.595 1.089 . . . . 0.0 113.107 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -96.26 -25.01 15.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.163 1.385 . . . . 0.0 113.068 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.7 p -118.74 -16.37 9.37 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -139.8 46.27 1.88 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.784 1.634 . . . . 0.0 110.919 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -69.58 160.8 30.84 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.015 1.326 . . . . 0.0 114.292 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -118.59 143.51 33.54 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 126.182 1.793 . . . . 0.0 110.391 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.84 -40.75 6.49 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.658 2.906 . . . . 0.0 115.488 -169.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -88.62 79.94 7.43 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.967 0.889 . . . . 0.0 111.072 -172.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -84.32 143.7 29.34 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.304 1.842 . . . . 0.0 111.787 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.98 135.62 80.22 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 124.31 1.044 . . . . 0.0 111.417 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -74.87 -13.02 21.82 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.408 2.739 . . . . 0.0 112.657 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -111.02 -27.32 8.82 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -173.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -143.24 -174.35 4.18 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 120.819 1.645 . . . . 0.0 113.242 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.2 p -73.16 -2.32 21.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.229 1.412 . . . . 0.0 114.404 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -61.02 140.79 57.75 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.521 1.528 . . . . 0.0 113.373 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.36 150.85 35.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.96 1.304 . . . . 0.0 111.473 168.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.5 t -137.34 160.33 39.38 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.43 1.092 . . . . 0.0 112.412 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.09 -4.94 58.88 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.085 0.954 . . . . 0.0 112.873 174.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -126.98 133.47 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.193 1.797 . . . . 0.0 110.36 -174.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.78 -38.09 82.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.158 0.983 . . . . 0.0 113.028 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.27 74.36 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.817 0.847 . . . . 0.0 112.798 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -66.28 -42.19 88.79 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.483 -0.761 . . . . 0.0 111.292 175.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.0 tp -63.87 -41.62 97.72 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.713 -0.617 . . . . 0.0 111.794 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -59.53 -38.89 82.2 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.762 -0.586 . . . . 0.0 112.399 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.4 t -72.48 -39.83 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.962 0.905 . . . . 0.0 111.652 173.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -62.43 -39.21 92.58 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.258 -0.901 . . . . 0.0 113.403 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.5 mt -60.09 -30.16 69.06 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.97 -1.081 . . . . 0.0 113.023 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -62.68 -19.45 63.87 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.253 1.021 . . . . 0.0 113.373 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -75.66 -26.8 57.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.507 1.123 . . . . 0.0 112.668 174.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -76.78 23.91 0.16 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 p -78.56 -20.81 49.77 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.917 -1.115 . . . . 0.0 112.997 169.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.49 172.29 50.65 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.933 1.254 . . . . 0.0 114.236 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -93.79 146.14 24.09 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.376 1.47 . . . . 0.0 111.58 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -85.68 143.94 28.1 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.491 1.516 . . . . 0.0 114.15 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -126.62 154.07 44.48 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.965 2.506 . . . . 0.0 109.36 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.32 141.27 46.86 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.23 142.33 56.98 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.649 1.18 . . . . 0.0 111.378 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -90.36 -6.11 55.41 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.483 1.113 . . . . 0.0 112.562 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -119.56 -21.63 7.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.004 1.322 . . . . 0.0 113.772 -169.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.5 p -145.65 -170.5 3.47 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.854 1.662 . . . . 0.0 112.234 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.2 p -80.77 -0.51 38.93 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.212 1.405 . . . . 0.0 114.776 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -63.8 141.67 58.68 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.5 p -131.52 151.7 51.36 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.37 1.468 . . . . 0.0 111.086 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.8 t -140.74 159.28 42.54 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.094 1.357 . . . . 0.0 111.378 -170.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 tp -102.7 9.05 39.4 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.67 1.188 . . . . 0.0 113.782 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.3 t -142.76 128.62 19.44 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.822 1.649 . . . . 0.0 110.975 173.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -67.55 -31.35 71.37 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.955 0.902 . . . . 0.0 112.164 176.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.59 -45.86 81.34 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.905 0.764 . . . . 0.0 112.349 174.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -68.09 -34.21 75.99 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.821 -0.811 . . . . 0.0 112.13 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.13 -40.77 96.9 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.453 -0.78 . . . . 0.0 112.099 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.93 -43.23 95.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.935 0.789 . . . . 0.0 111.118 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.4 -41.24 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.455 0.702 . . . . 0.0 111.772 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -57.58 -47.19 82.8 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.395 0.998 . . . . 0.0 111.416 171.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.69 -44.93 99.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.476 0.71 . . . . 0.0 111.206 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.69 -43.39 93.66 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.83 -33.49 30.67 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -174.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 t -99.66 -36.63 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.802 0.841 . . . . 0.0 112.54 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -115.06 -40.39 3.49 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -169.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -86.61 -2.69 58.71 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -63.74 -28.18 69.71 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.425 1.49 . . . . 0.0 113.125 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.3 mm -115.0 141.12 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.289 1.835 . . . . 0.0 109.779 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.833 1.653 . . . . 0.0 111.291 176.75 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -85.7 179.71 7.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.863 1.265 . . . . 0.0 112.847 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -70.31 -10.89 60.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.017 1.327 . . . . 0.0 114.076 169.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.68 8.05 75.92 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.417 1.008 . . . . 0.0 114.097 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -132.28 169.69 16.11 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.613 1.965 . . . . 0.0 111.878 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 p -70.72 -35.87 72.94 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.881 0.872 . . . . 0.0 112.904 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.52 163.35 26.13 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.453 1.502 . . . . 0.0 113.328 170.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -141.56 142.05 33.51 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.481 1.512 . . . . 0.0 111.141 176.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -137.7 146.11 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.281 1.833 . . . . 0.0 109.43 -170.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.88 139.33 52.56 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.28 1.432 . . . . 0.0 111.183 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.1 m -136.13 135.76 39.52 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.668 0.787 . . . . 0.0 111.939 -169.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -72.14 129.87 39.5 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.212 1.405 . . . . 0.0 111.228 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -84.31 -6.19 59.36 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.96 -31.79 8.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.471 1.108 . . . . 0.0 113.761 -174.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.79 10.45 3.96 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 59.7 14.18 3.91 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.904 2.082 . . . . 0.0 115.875 175.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -67.54 149.9 49.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.788 1.235 . . . . 0.0 112.261 174.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -118.11 137.03 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.416 1.486 . . . . 0.0 110.791 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -134.82 144.7 47.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.571 1.948 . . . . 0.0 111.31 -173.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -73.49 -29.18 62.34 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -134.54 153.89 51.72 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.954 1.302 . . . . 0.0 112.588 -173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -63.97 -37.91 89.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.623 0.769 . . . . 0.0 112.469 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -64.43 -32.0 73.44 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 m -68.81 -42.29 77.48 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.387 0.675 . . . . 0.0 111.643 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.22 -42.46 88.67 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.972 -0.455 . . . . 0.0 111.751 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.8 -38.82 86.63 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.881 0.873 . . . . 0.0 112.639 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.73 -32.46 63.87 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -67.74 -41.3 83.66 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.532 0.733 . . . . 0.0 112.322 173.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.49 -15.99 21.33 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.908 1.283 . . . . 0.0 114.041 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -61.6 -16.15 45.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.003 1.321 . . . . 0.0 114.234 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -87.03 -26.94 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.415 1.086 . . . . 0.0 113.309 173.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -93.93 -35.37 12.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.045 1.338 . . . . 0.0 112.018 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.7 p -87.26 35.63 0.71 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.541 1.936 . . . . 0.0 112.17 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -76.5 42.57 0.29 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.537 1.935 . . . . 0.0 114.919 -168.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -99.02 -18.03 17.98 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.621 1.568 . . . . 0.0 112.804 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -108.07 112.43 61.52 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 126.041 1.736 . . . . 0.0 109.967 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.8 -35.42 4.46 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.18 2.587 . . . . 0.0 114.649 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -85.47 81.68 8.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.948 0.88 . . . . 0.0 111.115 -172.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -88.1 138.14 31.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.647 1.579 . . . . 0.0 112.133 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -69.4 135.2 88.73 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.611 1.164 . . . . 0.0 111.452 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -79.27 -9.07 15.21 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.449 2.766 . . . . 0.0 113.251 172.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -115.57 -21.92 9.49 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -171.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.8 p -144.53 -171.7 3.65 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.951 1.251 . . . . 0.0 111.789 172.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 p -71.85 -11.16 60.67 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -50.84 141.49 13.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.537 1.935 . . . . 0.0 114.189 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.84 146.28 30.16 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.656 1.182 . . . . 0.0 111.76 169.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.9 p -136.96 168.6 19.27 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.654 1.182 . . . . 0.0 113.669 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.19 1.23 44.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.144 1.378 . . . . 0.0 113.705 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.0 mt -133.97 124.46 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.484 1.514 . . . . 0.0 109.797 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.04 -36.93 85.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.466 1.107 . . . . 0.0 112.7 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.24 69.16 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.08 0.952 . . . . 0.0 113.098 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -76.9 -40.74 46.3 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.398 -0.814 . . . . 0.0 110.998 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.8 tp -60.73 -39.46 88.7 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.396 -0.815 . . . . 0.0 111.68 170.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -59.32 -34.54 72.46 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.488 1.115 . . . . 0.0 113.006 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.6 t -83.01 -32.55 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.15 0.98 . . . . 0.0 112.026 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -63.1 -41.09 99.31 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.075 -1.015 . . . . 0.0 112.62 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.32 -31.35 71.21 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.883 -1.136 . . . . 0.0 112.612 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -67.18 -10.55 51.59 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -85.18 -16.99 38.51 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.816 1.246 . . . . 0.0 113.33 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -82.97 53.53 2.46 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.304 1.442 . . . . 0.0 112.511 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.8 p -87.62 146.06 25.91 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.187 1.395 . . . . 0.0 111.956 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.8 17.16 73.0 Favored Glycine 0 CA--C 1.539 1.561 0 N-CA-C 115.212 0.845 . . . . 0.0 115.212 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -73.3 167.56 20.96 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.029 1.332 . . . . 0.0 112.157 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -79.81 147.15 31.91 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.145 0.978 . . . . 0.0 113.278 175.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -123.43 148.58 46.0 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.883 2.473 . . . . 0.0 108.967 170.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.21 142.46 50.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.294 1.038 . . . . 0.0 113.422 -171.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.5 144.74 56.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.085 1.354 . . . . 0.0 112.14 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -87.24 -9.71 54.37 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.485 1.114 . . . . 0.0 112.565 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -122.51 -17.06 7.11 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.865 1.266 . . . . 0.0 114.331 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.7 p -148.58 -171.3 3.82 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.339 1.456 . . . . 0.0 112.166 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 m -81.8 1.03 36.6 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.273 1.429 . . . . 0.0 114.607 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.95 143.96 57.24 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.401 1.08 . . . . 0.0 113.696 -176.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.7 p -137.57 148.63 46.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.102 1.361 . . . . 0.0 111.713 171.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.441 ' HG ' ' CG ' ' A' ' 79' ' ' HIS . 11.8 t -145.7 157.98 43.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.314 1.046 . . . . 0.0 112.027 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mp -83.03 9.03 11.14 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.202 1.401 . . . . 0.0 113.441 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 t -141.09 132.52 26.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.397 1.479 . . . . 0.0 111.355 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -68.63 -26.49 65.37 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.525 0.73 . . . . 0.0 112.728 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.2 -44.14 61.13 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 123.92 0.772 . . . . 0.0 112.004 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.441 ' CG ' ' HG ' ' A' ' 74' ' ' CYS . 2.5 t-80 -66.18 -34.72 78.68 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.876 -0.779 . . . . 0.0 111.567 173.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.59 -40.88 93.19 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.449 -0.782 . . . . 0.0 112.203 172.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -59.17 -44.25 92.15 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.79 0.723 . . . . 0.0 110.977 173.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.47 -40.75 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.849 0.859 . . . . 0.0 111.894 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -58.47 -47.57 83.6 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.442 1.019 . . . . 0.0 111.556 171.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.44 -47.01 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.611 -0.68 . . . . 0.0 110.695 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.11 -35.82 79.88 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.218 1.007 . . . . 0.0 113.328 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -85.12 -36.19 21.28 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.08 -36.3 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.139 0.976 . . . . 0.0 112.891 -170.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -115.31 -20.99 10.1 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -170.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.19 170.34 8.16 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.35 1.46 . . . . 0.0 111.814 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -103.59 144.64 31.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.697 1.599 . . . . 0.0 110.998 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.1 mm -129.63 141.64 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.031 1.733 . . . . 0.0 109.922 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.046 1.738 . . . . 0.0 111.197 178.023 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 m 61.14 168.92 0.1 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.529 1.931 . . . . 0.0 115.081 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -149.17 154.13 38.7 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.012 1.325 . . . . 0.0 111.735 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.6 168.23 54.26 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.692 1.139 . . . . 0.0 114.415 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -150.37 150.02 30.86 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.036 1.334 . . . . 0.0 111.529 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -76.18 147.28 38.55 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.724 1.21 . . . . 0.0 112.934 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.55 -177.21 44.5 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.381 0.991 . . . . 0.0 113.937 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -141.03 154.68 46.11 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.234 1.814 . . . . 0.0 111.017 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.7 mt -107.56 144.35 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 126.155 1.782 . . . . 0.0 109.591 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -130.56 139.46 50.46 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.126 1.77 . . . . 0.0 110.213 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.7 m -134.92 134.98 41.19 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.951 0.796 . . . . 0.0 112.544 -169.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.6 t -77.5 124.9 28.51 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.826 1.65 . . . . 0.0 110.893 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -81.5 -7.09 59.53 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -97.74 -30.74 12.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.091 0.956 . . . . 0.0 113.574 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.9 p -135.83 9.56 3.33 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.2 t30 58.21 23.57 10.43 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.239 1.815 . . . . 0.0 115.195 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -76.78 152.24 35.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.532 1.133 . . . . 0.0 111.692 172.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.0 t -121.86 137.81 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.234 1.414 . . . . 0.0 110.741 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -132.89 150.68 52.14 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.042 2.137 . . . . 0.0 111.35 -172.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -82.78 -18.95 38.81 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.721 1.209 . . . . 0.0 113.947 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -141.44 154.22 45.45 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.346 1.058 . . . . 0.0 112.844 -173.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -61.82 -44.22 97.28 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.59 1.156 . . . . 0.0 112.384 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -64.57 -35.65 81.67 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.318 0.647 . . . . 0.0 112.275 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -63.62 -44.23 94.54 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.353 0.661 . . . . 0.0 111.936 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.2 tp -65.95 -45.66 80.96 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.382 0.537 . . . . 0.0 111.827 172.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -60.94 -39.19 88.5 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.32 0.964 . . . . 0.0 112.964 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.51 -33.53 66.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.312 0.645 . . . . 0.0 112.67 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -65.02 -43.92 90.88 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.413 0.685 . . . . 0.0 112.107 172.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.54 -23.89 52.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.429 1.092 . . . . 0.0 113.772 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -53.41 -30.32 39.58 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.603 1.161 . . . . 0.0 113.614 175.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 pt -71.27 -26.85 27.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.945 0.793 . . . . 0.0 112.949 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -93.98 -35.83 12.44 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.017 1.327 . . . . 0.0 112.645 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.5 p -81.82 -26.28 34.47 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -91.64 152.37 20.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.105 0.962 . . . . 0.0 113.197 -177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.23 157.68 16.02 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.887 1.675 . . . . 0.0 113.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -134.17 102.73 11.86 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 126.339 1.856 . . . . 0.0 108.29 -177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -67.06 -35.23 26.18 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.672 2.248 . . . . 0.0 115.713 -168.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -87.31 82.84 7.47 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.981 0.912 . . . . 0.0 111.921 -173.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.52 143.95 42.22 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.121 1.368 . . . . 0.0 111.562 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.8 t -73.27 136.67 78.67 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 124.42 1.088 . . . . 0.0 111.024 169.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -74.78 -9.4 21.06 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.441 2.76 . . . . 0.0 113.339 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -117.14 -24.52 7.48 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 -172.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.8 p -146.16 -175.06 4.61 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.289 1.404 . . . . 0.0 113.381 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -71.75 -1.78 15.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.498 1.519 . . . . 0.0 114.671 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -59.49 139.63 56.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.39 1.476 . . . . 0.0 112.89 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.02 146.24 28.83 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.817 1.247 . . . . 0.0 111.326 168.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -143.09 176.65 8.95 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.247 1.019 . . . . 0.0 113.44 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.25 0.11 36.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.116 1.767 . . . . 0.0 114.115 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.4 mt -134.02 129.73 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.69 1.196 . . . . 0.0 110.425 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -63.57 -38.23 90.32 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.611 1.165 . . . . 0.0 112.838 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.59 76.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.715 0.806 . . . . 0.0 112.712 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.86 -40.22 75.88 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.313 -0.867 . . . . 0.0 111.143 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.6 -39.27 90.62 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.144 0.578 . . . . 0.0 111.883 169.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -61.85 -41.54 97.95 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.074 -1.016 . . . . 0.0 112.351 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.5 t -68.81 -34.45 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.475 -0.765 . . . . 0.0 111.831 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -65.32 -41.96 93.47 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.324 -0.86 . . . . 0.0 112.884 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.8 -33.28 72.75 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.995 -1.065 . . . . 0.0 112.499 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -61.78 -17.1 54.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 172.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -83.6 -16.64 44.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.933 1.293 . . . . 0.0 113.642 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -81.3 67.39 7.22 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.449 1.1 . . . . 0.0 111.48 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.6 p -85.28 -15.98 41.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.368 1.467 . . . . 0.0 114.362 -175.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.24 9.45 86.8 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 124.388 0.994 . . . . 0.0 114.513 -172.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.66 144.91 56.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.993 1.317 . . . . 0.0 111.221 174.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -66.98 146.66 54.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.584 1.154 . . . . 0.0 113.379 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -113.51 149.45 34.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.437 2.295 . . . . 0.0 108.918 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.87 142.91 50.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.237 1.015 . . . . 0.0 113.182 -173.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -64.69 143.86 57.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.999 1.32 . . . . 0.0 111.832 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -86.84 -8.48 57.27 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.402 1.081 . . . . 0.0 112.637 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -123.1 -19.45 6.04 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.923 1.289 . . . . 0.0 114.22 -170.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.41 -171.63 3.78 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.379 1.472 . . . . 0.0 112.372 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.9 m -81.11 0.17 37.35 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.307 1.443 . . . . 0.0 114.632 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.79 145.31 56.02 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.338 1.055 . . . . 0.0 113.836 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.5 p -137.24 152.38 49.77 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.238 1.415 . . . . 0.0 111.816 171.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.7 t -145.59 154.63 42.36 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.335 1.054 . . . . 0.0 111.638 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mp -77.88 -4.83 48.71 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.22 1.008 . . . . 0.0 112.881 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.2 t -123.5 127.32 48.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.579 1.552 . . . . 0.0 111.752 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -67.52 -30.47 70.14 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.436 1.095 . . . . 0.0 111.947 172.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.42 -45.13 81.34 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.967 0.794 . . . . 0.0 112.367 174.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -67.18 -36.09 81.04 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.635 -0.921 . . . . 0.0 111.716 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.0 -38.4 90.94 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.509 -0.744 . . . . 0.0 112.311 172.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.59 -46.02 91.79 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.846 171.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.1 t -58.47 -42.53 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 119.667 1.122 . . . . 0.0 111.532 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -56.66 -47.48 79.7 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.078 0.854 . . . . 0.0 112.022 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.04 -48.04 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.106 -0.997 . . . . 0.0 111.367 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.09 -35.47 73.45 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.385 1.474 . . . . 0.0 112.782 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -91.66 -36.41 13.65 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.5 -36.61 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 118.911 0.778 . . . . 0.0 113.069 -170.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -116.76 -26.56 6.92 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -79.35 42.01 0.48 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.339 1.455 . . . . 0.0 113.774 -175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.28 137.87 45.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.934 1.294 . . . . 0.0 111.062 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.9 mm -105.16 137.62 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.259 1.424 . . . . 0.0 109.934 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.261 1.825 . . . . 0.0 111.568 -178.872 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 112.139 -0.384 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -67.18 148.63 51.54 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.496 1.118 . . . . 0.0 112.955 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -76.41 151.99 36.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.012 0.925 . . . . 0.0 112.426 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.63 162.25 27.87 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.95 1.262 . . . . 0.0 113.256 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.7 p -153.41 164.55 37.97 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.342 1.457 . . . . 0.0 112.498 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.1 m -132.42 142.89 49.46 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.394 1.477 . . . . 0.0 111.444 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.46 152.96 43.84 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.083 0.849 . . . . 0.0 113.651 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -147.03 150.7 35.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.792 1.637 . . . . 0.0 111.099 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -131.16 142.2 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.953 1.701 . . . . 0.0 109.43 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -123.31 136.79 54.85 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.728 1.611 . . . . 0.0 110.447 -175.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m -132.68 135.69 45.96 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.738 0.815 . . . . 0.0 112.172 -170.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.27 130.93 40.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.178 1.391 . . . . 0.0 111.649 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.19 -10.32 59.64 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -102.03 -30.7 11.03 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -174.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 p -135.03 3.83 3.2 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 59.43 20.68 9.04 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.245 1.818 . . . . 0.0 115.466 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -68.56 151.91 46.11 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.001 -1.062 . . . . 0.0 111.581 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.16 137.64 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.39 1.476 . . . . 0.0 111.014 -174.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -135.91 148.89 48.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.612 1.965 . . . . 0.0 111.429 -171.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -82.17 -19.67 39.44 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 -176.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -138.04 153.16 49.38 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.622 1.169 . . . . 0.0 112.813 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.56 -41.91 95.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.518 1.127 . . . . 0.0 112.152 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -66.02 -32.57 74.12 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.6 m -67.99 -42.4 80.81 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.318 0.647 . . . . 0.0 111.705 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.81 -45.73 81.23 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.265 0.484 . . . . 0.0 111.556 172.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -59.98 -38.47 82.66 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.267 -0.896 . . . . 0.0 112.776 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.42 64.65 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -66.83 -43.48 83.62 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.571 -0.706 . . . . 0.0 112.33 172.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.9 mt -57.57 -21.09 36.6 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.496 1.118 . . . . 0.0 113.558 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.33 -25.38 34.38 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.385 1.474 . . . . 0.0 114.24 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.5 pt -77.37 -30.43 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 119.206 0.912 . . . . 0.0 112.629 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -86.64 -33.63 20.06 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.751 1.22 . . . . 0.0 111.781 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.7 p -80.35 66.11 5.74 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.713 1.205 . . . . 0.0 111.006 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.27 28.74 0.19 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.491 1.517 . . . . 0.0 113.958 -173.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -81.26 1.04 34.14 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.368 1.867 . . . . 0.0 113.169 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -57.86 120.32 41.14 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 127.335 2.254 . . . . 0.0 110.194 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.93 -36.88 4.05 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.106 2.537 . . . . 0.0 114.465 -168.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -90.06 74.3 7.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 122.287 1.041 . . . . 0.0 110.72 -169.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -78.42 142.59 37.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.979 1.712 . . . . 0.0 111.16 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -70.88 136.15 85.3 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 124.01 0.924 . . . . 0.0 111.128 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.87 -9.9 21.17 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.373 2.715 . . . . 0.0 113.127 173.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -113.74 -27.97 7.61 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.0 p -144.16 -173.69 4.08 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.259 1.391 . . . . 0.0 113.402 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 p -74.85 -1.18 21.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.479 1.512 . . . . 0.0 114.808 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.85 142.41 50.59 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.792 1.637 . . . . 0.0 113.258 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.57 152.36 37.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.068 1.347 . . . . 0.0 112.151 168.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -146.55 167.03 24.71 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.979 0.911 . . . . 0.0 113.205 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.21 0.86 48.97 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.059 1.744 . . . . 0.0 113.308 172.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.39 126.12 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.089 1.355 . . . . 0.0 110.12 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -65.12 -40.55 94.64 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.033 0.933 . . . . 0.0 112.805 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.8 -28.74 69.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.857 0.863 . . . . 0.0 112.737 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -69.9 -43.44 71.74 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.481 -0.762 . . . . 0.0 110.746 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.36 -35.52 79.38 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.751 -0.593 . . . . 0.0 111.925 169.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -61.13 -47.66 85.19 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.632 1.106 . . . . 0.0 111.859 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.36 -33.06 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.092 0.957 . . . . 0.0 111.843 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.09 -44.29 76.58 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.371 -0.831 . . . . 0.0 112.913 173.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.9 mt -64.15 -29.85 70.95 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.603 -1.311 . . . . 0.0 112.578 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -61.65 -16.12 45.82 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 170.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -80.75 -34.43 34.35 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.24 1.016 . . . . 0.0 112.504 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -79.77 -34.7 39.57 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.829 1.252 . . . . 0.0 113.717 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.1 t -72.72 -16.26 61.67 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -173.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.02 -151.0 32.97 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.584 1.088 . . . . 0.0 113.641 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -67.61 131.74 46.2 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.542 1.137 . . . . 0.0 112.473 -175.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -126.35 149.46 49.17 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.993 1.717 . . . . 0.0 111.225 169.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -96.69 148.35 22.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.046 1.739 . . . . 0.0 109.434 169.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.72 139.72 51.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.076 0.95 . . . . 0.0 113.19 -170.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.4 t -68.61 144.97 54.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.91 1.284 . . . . 0.0 112.336 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.6 -9.46 49.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.672 1.189 . . . . 0.0 112.433 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -117.72 -22.26 8.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.265 1.426 . . . . 0.0 113.598 -170.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.1 p -146.43 -172.42 3.95 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.857 1.663 . . . . 0.0 112.316 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 m -82.19 2.46 31.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.278 1.431 . . . . 0.0 114.619 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.93 138.15 58.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.548 1.139 . . . . 0.0 113.456 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.1 p -138.74 140.56 38.73 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.056 1.343 . . . . 0.0 111.628 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.6 p -144.66 169.8 17.3 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.68 1.192 . . . . 0.0 113.016 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mp -86.77 -10.12 54.31 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -175.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.2 m -137.81 124.57 21.1 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.235 1.014 . . . . 0.0 112.459 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -62.96 -30.01 71.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.134 0.974 . . . . 0.0 113.333 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.1 -34.3 89.56 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 123.702 0.667 . . . . 0.0 113.455 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -75.3 -31.89 60.8 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.094 0.947 . . . . 0.0 111.909 173.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.45 -43.17 91.19 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.521 -0.737 . . . . 0.0 112.267 171.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -56.65 -45.21 81.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.455 1.102 . . . . 0.0 111.789 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 p -79.08 -25.44 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -60.28 -45.19 94.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.397 -1.44 . . . . 0.0 110.603 167.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.26 -46.11 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.029 0.532 . . . . 0.0 110.588 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.81 -36.21 81.84 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -73.78 -41.29 62.62 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.3 t -102.67 -33.87 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -168.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -117.62 -14.86 10.22 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -168.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -109.25 10.97 25.63 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -140.2 161.52 37.46 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.566 1.547 . . . . 0.0 112.611 173.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 50.8 pt -85.81 162.6 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 125.354 1.461 . . . . 0.0 112.143 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.817 1.647 . . . . 0.0 111.783 174.775 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -80.09 40.7 0.49 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.612 1.565 . . . . 0.0 113.977 -174.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -74.39 -14.89 60.92 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.231 1.413 . . . . 0.0 114.544 -172.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.29 171.46 43.34 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.174 1.369 . . . . 0.0 113.145 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -83.1 157.03 22.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.923 1.289 . . . . 0.0 113.02 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m -71.52 147.3 47.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.42 1.088 . . . . 0.0 112.819 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.25 160.44 54.05 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.074 0.845 . . . . 0.0 113.789 174.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -144.59 152.09 40.01 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.78 1.632 . . . . 0.0 111.363 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.3 mt -119.44 141.57 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 126.142 1.777 . . . . 0.0 109.265 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.53 134.78 51.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.498 1.519 . . . . 0.0 110.26 -172.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.3 m -131.69 134.76 46.28 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.576 -0.702 . . . . 0.0 112.2 -169.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.71 129.04 37.31 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.026 1.33 . . . . 0.0 111.314 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.58 -8.33 59.7 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -104.6 -31.49 9.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.435 1.094 . . . . 0.0 113.886 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 p -133.57 7.9 3.87 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.6 t30 58.15 20.06 6.68 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.438 1.895 . . . . 0.0 115.525 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -70.09 150.18 46.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.592 1.157 . . . . 0.0 111.738 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -118.97 136.46 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.21 1.404 . . . . 0.0 110.663 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -132.67 146.37 51.82 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.795 2.038 . . . . 0.0 110.863 -174.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -82.72 -13.23 56.72 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -142.05 150.84 41.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.674 1.19 . . . . 0.0 112.299 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -63.71 -42.67 97.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.281 1.032 . . . . 0.0 112.48 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -64.37 -34.97 79.38 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.361 0.664 . . . . 0.0 112.4 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -64.55 -42.33 95.75 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.33 0.652 . . . . 0.0 112.066 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.8 tp -67.16 -45.4 77.11 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.301 0.501 . . . . 0.0 111.736 172.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -60.1 -38.76 83.93 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.396 0.998 . . . . 0.0 112.739 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.05 -27.86 61.13 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -70.66 -43.42 69.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.046 0.939 . . . . 0.0 112.084 170.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.28 -20.34 41.76 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.603 1.161 . . . . 0.0 113.785 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 mtp-105 -49.28 -28.55 4.86 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.334 1.454 . . . . 0.0 114.438 170.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 pt -79.68 -25.51 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.658 1.117 . . . . 0.0 113.629 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -95.12 -22.63 17.75 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.906 1.282 . . . . 0.0 113.69 -173.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.9 p -79.13 53.83 1.52 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.371 1.468 . . . . 0.0 112.54 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.0 t30 63.01 159.05 0.08 Allowed 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.904 2.481 . . . . 0.0 114.007 -169.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.91 145.76 48.28 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.0 1.32 . . . . 0.0 112.815 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -134.74 78.47 55.21 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 125.196 1.399 . . . . 0.0 110.585 -172.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.19 -34.91 43.88 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.504 2.802 . . . . 0.0 114.707 -172.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -87.52 86.74 7.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.879 0.871 . . . . 0.0 110.856 -175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.39 143.1 26.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.691 1.596 . . . . 0.0 112.306 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.9 t -73.17 133.34 81.38 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.329 1.052 . . . . 0.0 110.473 171.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -78.66 -8.74 15.92 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.15 2.567 . . . . 0.0 112.625 171.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -113.82 -21.58 10.6 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -171.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -144.46 -171.7 3.65 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.707 1.139 . . . . 0.0 112.516 171.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.7 p -74.37 -1.49 21.2 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.237 1.415 . . . . 0.0 114.531 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -61.77 141.45 57.89 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.563 1.545 . . . . 0.0 113.626 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.45 152.06 35.03 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.761 1.224 . . . . 0.0 111.856 169.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.3 p -141.55 175.05 9.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.958 1.303 . . . . 0.0 113.201 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.59 3.91 37.83 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.239 1.416 . . . . 0.0 113.992 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.2 mt -136.83 124.72 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.838 1.255 . . . . 0.0 110.669 -176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.95 -39.76 93.2 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.782 1.233 . . . . 0.0 113.132 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.15 77.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.567 0.747 . . . . 0.0 112.529 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -34.0 64.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.253 -0.905 . . . . 0.0 111.48 176.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.6 tp -64.49 -38.43 90.99 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.607 -0.683 . . . . 0.0 111.395 169.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -62.31 -42.87 99.73 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.324 0.966 . . . . 0.0 112.08 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.87 -35.34 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.639 0.776 . . . . 0.0 111.82 173.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.22 -44.62 79.08 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 172.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.29 -32.97 72.81 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.655 -1.278 . . . . 0.0 112.189 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -62.75 -13.38 32.15 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.707 1.203 . . . . 0.0 113.972 172.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -85.57 -18.93 31.95 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.022 1.329 . . . . 0.0 113.656 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -81.85 71.18 8.87 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.377 1.071 . . . . 0.0 111.11 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 50.0 p -131.67 151.41 51.65 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.703 1.601 . . . . 0.0 111.399 177.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.13 -150.11 22.34 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.498 1.047 . . . . 0.0 112.701 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -75.14 149.6 38.99 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.603 1.161 . . . . 0.0 110.996 172.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -77.53 147.29 35.87 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.979 1.311 . . . . 0.0 112.931 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -108.35 133.6 52.32 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.404 1.882 . . . . 0.0 108.357 169.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.48 145.19 50.2 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -168.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.9 t -69.69 145.0 52.68 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.4 1.48 . . . . 0.0 112.396 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.24 -8.16 54.03 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.911 1.285 . . . . 0.0 112.828 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -123.27 -17.09 6.7 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.9 p -148.83 -170.9 3.74 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.512 1.525 . . . . 0.0 112.315 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.5 m -81.21 2.08 29.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.436 1.494 . . . . 0.0 114.719 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.6 138.65 58.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.337 1.055 . . . . 0.0 113.407 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.9 p -137.14 150.04 47.7 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.169 1.388 . . . . 0.0 111.924 170.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.7 p -146.77 178.9 7.96 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.782 1.633 . . . . 0.0 112.36 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.2 mt -113.94 23.96 12.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.985 1.314 . . . . 0.0 112.973 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 t -153.73 137.84 16.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.794 1.238 . . . . 0.0 111.926 170.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -62.6 -25.29 68.01 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 169.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.82 -44.79 88.35 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.074 0.845 . . . . 0.0 112.104 171.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.33 -38.08 89.77 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 117.846 0.823 . . . . 0.0 111.558 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.47 -44.31 94.82 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.243 0.617 . . . . 0.0 111.973 174.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.57 -47.5 85.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.039 0.536 . . . . 0.0 111.068 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.42 -41.98 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.997 0.919 . . . . 0.0 111.524 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.24 -51.44 68.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.782 0.719 . . . . 0.0 112.192 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 98.2 mt -66.42 -44.69 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.169 -0.957 . . . . 0.0 111.099 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -62.82 -25.76 68.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.598 1.159 . . . . 0.0 113.541 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.27 -37.89 9.49 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -98.43 -35.06 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.858 0.863 . . . . 0.0 113.119 -169.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -119.97 -30.0 4.81 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -169.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -67.93 133.22 48.74 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.809 1.243 . . . . 0.0 111.3 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -145.21 164.88 29.98 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.361 1.864 . . . . 0.0 112.318 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.6 tt -89.74 152.27 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.326 1.45 . . . . 0.0 110.856 170.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt . . . . . 0 C--O 1.252 1.22 0 C-N-CA 126.411 1.884 . . . . 0.0 112.708 175.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -71.03 154.25 41.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.567 1.147 . . . . 0.0 113.244 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -133.61 153.36 51.73 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.68 1.592 . . . . 0.0 111.933 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.64 7.13 87.24 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.416 1.008 . . . . 0.0 115.411 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -65.84 -19.75 65.99 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.201 1.4 . . . . 0.0 114.511 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -88.9 19.21 4.23 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.834 1.654 . . . . 0.0 114.348 -175.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.36 155.25 36.47 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.76 1.171 . . . . 0.0 114.317 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -136.81 152.72 50.61 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.668 1.587 . . . . 0.0 112.115 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.0 mt -120.42 142.55 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 126.702 2.001 . . . . 0.0 109.104 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -121.75 135.89 54.94 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.103 1.361 . . . . 0.0 110.632 -173.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -133.74 134.97 43.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.419 0.687 . . . . 0.0 112.007 -169.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -72.97 130.55 40.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.138 1.375 . . . . 0.0 111.534 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -82.89 -8.85 59.54 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -103.85 -31.33 9.84 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.399 1.079 . . . . 0.0 113.724 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -134.18 8.01 3.7 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 58.38 20.17 7.1 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.392 1.877 . . . . 0.0 115.57 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -71.59 151.04 44.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.672 1.189 . . . . 0.0 111.804 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -118.44 137.25 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.333 1.453 . . . . 0.0 110.785 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -134.53 148.39 50.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.663 1.985 . . . . 0.0 111.381 -172.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -77.26 -23.2 51.26 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -175.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -140.47 155.48 46.66 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.419 1.088 . . . . 0.0 112.654 -172.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -58.8 -44.03 90.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.277 1.031 . . . . 0.0 111.848 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -66.01 -31.76 72.84 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 m -66.15 -45.55 80.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.625 0.77 . . . . 0.0 111.499 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 tp -65.49 -42.98 91.55 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 122.052 -0.405 . . . . 0.0 111.915 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -59.49 -41.32 89.56 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.188 0.903 . . . . 0.0 112.672 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.29 70.88 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -66.27 -42.88 87.86 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.427 0.691 . . . . 0.0 112.152 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.8 mt -57.69 -20.7 35.86 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.439 1.096 . . . . 0.0 113.646 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -58.28 -20.1 39.91 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 pt -79.18 -23.99 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.467 1.03 . . . . 0.0 113.221 173.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -98.25 -35.18 10.43 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.528 1.531 . . . . 0.0 112.718 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.5 p -78.6 162.63 26.12 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.46 1.104 . . . . 0.0 112.133 174.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -80.58 130.08 34.91 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.345 -0.847 . . . . 0.0 112.624 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -155.26 168.96 25.35 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.295 1.838 . . . . 0.0 110.896 171.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.1 119.73 44.55 Favored Pre-proline 0 N--CA 1.478 0.956 0 C-N-CA 124.775 1.23 . . . . 0.0 112.189 -173.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -79.27 -37.66 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.191 2.594 . . . . 0.0 115.017 -171.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -85.53 78.1 9.74 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.844 0.831 . . . . 0.0 111.073 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.54 145.55 28.02 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.294 1.837 . . . . 0.0 112.34 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.37 137.3 71.5 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.826 1.25 . . . . 0.0 111.029 172.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.62 -10.56 15.78 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.594 2.863 . . . . 0.0 112.952 173.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -113.25 -24.42 9.39 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -172.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.1 p -145.2 -175.42 4.69 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.271 1.396 . . . . 0.0 113.036 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -72.0 -0.64 12.1 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.306 1.442 . . . . 0.0 114.684 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -61.07 140.12 57.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.456 1.503 . . . . 0.0 113.379 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.57 152.52 38.09 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.141 1.376 . . . . 0.0 111.878 168.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t -145.72 169.97 17.44 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.454 1.101 . . . . 0.0 113.33 174.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.55 -1.04 51.33 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.037 1.735 . . . . 0.0 113.548 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.3 mt -128.4 128.29 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.066 1.346 . . . . 0.0 110.29 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -67.16 -37.35 83.6 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.504 1.121 . . . . 0.0 112.926 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.05 -30.69 71.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.489 0.716 . . . . 0.0 112.585 173.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.2 -39.92 78.34 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.094 -1.004 . . . . 0.0 111.085 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.96 -37.21 81.6 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.837 -0.54 . . . . 0.0 111.562 169.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -64.26 -36.57 84.52 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.758 -1.214 . . . . 0.0 112.83 175.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -72.85 -19.94 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.251 1.42 . . . . 0.0 112.398 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -84.74 -45.38 12.45 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.52 1.128 . . . . 0.0 113.746 170.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.04 -34.15 74.41 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.574 -1.329 . . . . 0.0 112.546 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -64.89 -9.3 20.0 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -84.68 -19.36 32.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.179 1.392 . . . . 0.0 113.135 170.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -81.65 17.64 1.41 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.129 1.372 . . . . 0.0 114.653 176.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.9 p -79.92 6.29 11.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.71 1.604 . . . . 0.0 114.364 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.37 -139.4 0.91 Allowed Glycine 0 CA--C 1.539 1.555 0 C-N-CA 126.075 1.798 . . . . 0.0 114.751 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.33 150.49 46.09 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.011 1.324 . . . . 0.0 114.019 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -109.42 159.2 17.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.048 2.139 . . . . 0.0 112.684 174.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -105.24 152.77 22.45 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.115 1.766 . . . . 0.0 110.518 176.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.54 142.71 48.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.06 0.944 . . . . 0.0 113.115 -174.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.7 t -65.98 145.16 56.22 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.958 1.303 . . . . 0.0 111.96 177.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -87.61 -9.5 54.13 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.462 1.105 . . . . 0.0 112.693 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -121.87 -19.06 6.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.918 1.287 . . . . 0.0 114.124 -169.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.35 -171.37 3.72 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.394 1.478 . . . . 0.0 112.401 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.3 p -82.47 0.83 40.48 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.789 1.636 . . . . 0.0 114.855 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -62.84 143.59 57.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.338 1.055 . . . . 0.0 113.333 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.2 p -134.69 155.39 50.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.691 1.196 . . . . 0.0 112.374 170.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.8 t -144.9 158.22 43.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.902 1.281 . . . . 0.0 112.22 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.4 mt -98.42 8.41 44.9 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.99 1.316 . . . . 0.0 113.299 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.8 t -140.05 126.31 19.99 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.684 1.594 . . . . 0.0 110.719 170.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -19.21 63.35 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 174.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.85 -46.76 28.36 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.014 0.816 . . . . 0.0 111.81 171.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -68.18 -32.13 72.16 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.749 -0.853 . . . . 0.0 111.869 174.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.35 -40.02 96.13 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.209 -0.932 . . . . 0.0 112.267 170.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.42 -41.8 97.73 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.26 -0.9 . . . . 0.0 111.215 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.3 t -63.18 -40.63 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.293 0.637 . . . . 0.0 111.858 174.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -57.32 -46.42 83.25 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.407 1.003 . . . . 0.0 111.489 171.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.81 -45.26 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 O-C-N 121.45 -0.782 . . . . 0.0 110.994 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.14 -35.3 80.12 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -84.91 -37.54 20.46 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.78 -37.01 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.858 0.863 . . . . 0.0 112.672 -170.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -111.17 -34.3 6.21 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -172.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -91.72 -173.05 3.41 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.578 1.551 . . . . 0.0 111.11 169.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -124.68 148.88 47.73 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.54 1.936 . . . . 0.0 110.032 169.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.2 mt -112.12 137.35 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.422 1.489 . . . . 0.0 109.658 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.395 1.878 . . . . 0.0 111.618 -178.728 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 p -148.41 161.42 41.63 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.352 1.461 . . . . 0.0 112.505 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m 54.88 30.45 13.89 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.742 1.617 . . . . 0.0 115.343 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.26 -179.38 48.89 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.963 1.268 . . . . 0.0 113.445 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -144.49 161.42 39.12 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.525 1.53 . . . . 0.0 112.348 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -68.37 142.42 55.46 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.435 1.094 . . . . 0.0 113.179 -176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.63 178.19 52.2 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.417 1.008 . . . . 0.0 113.821 172.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -73.6 147.43 43.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.48 1.112 . . . . 0.0 111.731 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -129.46 143.13 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.973 1.709 . . . . 0.0 109.514 -174.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -124.39 137.81 54.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.396 1.478 . . . . 0.0 110.535 -174.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 m -133.86 135.73 43.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.466 0.706 . . . . 0.0 112.062 -169.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -70.34 134.17 47.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.113 1.365 . . . . 0.0 111.871 176.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -85.13 -8.78 58.47 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -106.33 -31.71 8.48 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.449 1.1 . . . . 0.0 113.794 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -133.51 6.61 3.8 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 59.31 14.82 3.89 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.368 1.867 . . . . 0.0 115.913 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -64.16 149.81 47.0 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.502 1.121 . . . . 0.0 111.745 170.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -116.81 136.24 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.302 1.441 . . . . 0.0 110.662 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -132.89 145.19 50.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.597 1.959 . . . . 0.0 110.929 -174.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -78.48 -19.43 53.06 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -137.46 150.13 47.36 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.749 1.22 . . . . 0.0 112.347 -171.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -63.48 -42.26 98.57 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.975 0.91 . . . . 0.0 112.06 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -64.3 -35.67 81.62 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.154 0.582 . . . . 0.0 112.47 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.9 m -63.39 -43.5 97.38 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.506 0.723 . . . . 0.0 111.978 174.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.25 -45.34 80.91 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.456 0.571 . . . . 0.0 111.838 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -59.67 -39.49 84.63 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.159 -0.963 . . . . 0.0 112.807 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.4 -33.78 67.4 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -64.99 -43.54 92.24 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.515 0.726 . . . . 0.0 112.346 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.2 mt -58.2 -20.32 40.41 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -56.99 -25.39 58.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.9 1.28 . . . . 0.0 114.021 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 pt -73.54 -30.32 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.197 0.908 . . . . 0.0 112.565 176.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -87.69 -24.15 23.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.57 1.148 . . . . 0.0 112.348 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -88.01 9.95 20.65 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.354 1.461 . . . . 0.0 113.6 173.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -59.84 142.76 52.84 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.95 1.3 . . . . 0.0 113.497 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -121.66 -0.56 9.66 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.436 1.494 . . . . 0.0 114.118 172.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -78.75 136.19 59.11 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 124.553 1.141 . . . . 0.0 111.208 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.58 -39.76 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.676 2.917 . . . . 0.0 115.915 -168.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -85.38 84.75 7.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.824 0.738 . . . . 0.0 111.435 -169.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -73.73 141.15 46.36 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.131 1.372 . . . . 0.0 111.894 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -67.54 132.46 92.88 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.41 1.484 . . . . 0.0 110.618 174.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -66.28 -14.93 46.4 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.241 2.627 . . . . 0.0 113.784 170.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -113.43 -25.93 8.57 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -169.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -143.14 -172.64 3.72 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 120.349 1.431 . . . . 0.0 113.178 175.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.1 p -72.91 -3.14 23.94 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.744 1.618 . . . . 0.0 114.428 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -63.98 149.13 48.0 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.585 1.554 . . . . 0.0 113.383 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.5 144.43 28.56 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.553 1.141 . . . . 0.0 111.968 169.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.9 t -119.14 157.54 27.71 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.815 1.246 . . . . 0.0 113.369 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.87 -6.42 58.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.844 1.258 . . . . 0.0 112.774 169.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.2 mt -133.07 128.11 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.97 1.308 . . . . 0.0 110.289 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -63.88 -39.11 93.42 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.69 0.796 . . . . 0.0 112.431 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.58 -24.53 64.61 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.126 0.97 . . . . 0.0 113.475 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -75.58 -40.88 55.93 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.135 -0.978 . . . . 0.0 111.236 170.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.54 -36.26 80.08 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.592 0.633 . . . . 0.0 111.565 172.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.75 -24.63 64.2 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.745 1.218 . . . . 0.0 113.64 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.8 -36.39 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.939 1.295 . . . . 0.0 111.677 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -59.59 -39.3 83.69 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.093 -1.005 . . . . 0.0 113.097 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 mt -59.16 -29.84 67.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.024 -1.048 . . . . 0.0 112.769 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -68.3 -11.02 58.79 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.398 1.479 . . . . 0.0 113.716 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -82.81 -22.31 34.22 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.158 1.383 . . . . 0.0 112.864 172.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -81.45 54.61 2.38 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 112.948 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.7 p -112.42 5.23 18.0 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.04 1.736 . . . . 0.0 114.067 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.99 -174.24 36.02 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.741 1.162 . . . . 0.0 113.542 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -94.47 131.9 39.68 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.124 1.369 . . . . 0.0 110.856 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -83.38 149.47 26.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.753 1.221 . . . . 0.0 113.953 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -122.2 151.38 41.08 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.959 2.504 . . . . 0.0 108.981 169.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.59 146.99 47.74 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -169.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.83 149.79 49.43 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.466 1.506 . . . . 0.0 112.137 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -96.07 -2.78 45.97 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.191 1.396 . . . . 0.0 112.656 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -125.95 -17.06 5.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.592 1.157 . . . . 0.0 113.985 -172.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.51 -172.3 4.1 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.651 1.58 . . . . 0.0 112.081 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 m -80.96 2.91 24.79 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.346 1.459 . . . . 0.0 114.654 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.99 143.57 57.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.457 1.103 . . . . 0.0 113.66 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 p -137.72 148.3 45.53 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.246 1.418 . . . . 0.0 111.883 171.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.443 ' HG ' ' CG ' ' A' ' 79' ' ' HIS . 9.1 t -145.87 162.83 36.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.355 1.062 . . . . 0.0 112.341 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.4 mt -86.91 4.24 42.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.445 1.498 . . . . 0.0 113.855 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.0 t -137.26 132.53 33.89 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.982 1.313 . . . . 0.0 112.316 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -64.55 -33.24 75.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.443 1.097 . . . . 0.0 112.127 170.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.3 76.38 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.816 0.722 . . . . 0.0 112.036 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.443 ' CG ' ' HG ' ' A' ' 74' ' ' CYS . 2.4 t-80 -66.37 -35.38 80.19 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.852 -0.793 . . . . 0.0 111.836 175.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.69 -38.83 84.22 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.567 -0.708 . . . . 0.0 112.05 174.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -60.88 -47.59 85.69 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.568 -0.708 . . . . 0.0 110.945 172.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.39 -41.87 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.634 0.652 . . . . 0.0 111.499 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -56.07 -47.52 77.8 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.076 0.853 . . . . 0.0 111.658 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.51 -45.67 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.094 -1.004 . . . . 0.0 111.303 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -67.23 -21.51 65.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -104.57 -46.86 4.24 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.71 -37.6 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.673 -0.642 . . . . 0.0 111.649 -172.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -112.51 -34.61 5.8 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -171.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -83.74 96.25 8.67 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.301 0.955 . . . . 0.0 110.316 170.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -83.58 43.89 0.93 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.717 1.207 . . . . 0.0 113.12 -171.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.5 pt -92.91 152.7 3.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 126.095 1.758 . . . . 0.0 112.053 -176.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.792 2.037 . . . . 0.0 112.796 -179.257 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -149.17 146.99 27.92 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.907 1.283 . . . . 0.0 112.064 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 m -82.93 -1.31 51.96 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.147 1.379 . . . . 0.0 113.471 173.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.62 1.22 38.42 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.501 1.524 . . . . 0.0 116.286 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -141.95 149.71 40.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.594 1.558 . . . . 0.0 111.774 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -77.03 -18.61 58.0 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.755 1.222 . . . . 0.0 113.303 171.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.61 10.66 67.48 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 124.601 1.096 . . . . 0.0 114.871 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -78.02 148.25 34.43 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 118.896 1.348 . . . . 0.0 112.082 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 51.7 mt -139.91 143.15 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.551 1.54 . . . . 0.0 110.172 -171.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -129.34 145.03 51.45 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.35 1.86 . . . . 0.0 110.618 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 m -136.1 137.17 40.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.616 0.766 . . . . 0.0 112.36 -170.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -70.23 131.53 44.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.293 1.437 . . . . 0.0 111.618 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.42 -8.55 59.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -107.36 -31.97 7.95 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.451 1.1 . . . . 0.0 113.886 -174.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -132.57 6.52 4.08 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.3 m120 59.47 15.67 4.66 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.302 1.841 . . . . 0.0 115.848 175.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -64.15 149.91 46.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.63 1.172 . . . . 0.0 111.706 170.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.23 136.38 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.217 1.407 . . . . 0.0 110.882 -174.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -134.62 146.75 49.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.679 1.992 . . . . 0.0 110.983 -173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -73.36 -37.29 66.11 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -121.98 149.13 43.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.598 1.159 . . . . 0.0 111.766 -170.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -60.9 -42.17 97.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.723 0.809 . . . . 0.0 112.11 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -66.65 -30.51 70.79 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.2 m -66.16 -42.57 88.8 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.48 0.712 . . . . 0.0 111.581 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.7 tp -66.52 -45.74 78.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 119.131 -0.461 . . . . 0.0 111.79 172.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -58.05 -40.14 80.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.585 1.084 . . . . 0.0 112.446 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.51 62.7 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -69.06 -44.7 72.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.553 0.741 . . . . 0.0 111.985 170.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.76 -19.61 42.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.387 1.075 . . . . 0.0 113.61 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 -47.19 -35.59 7.65 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.844 1.258 . . . . 0.0 114.073 170.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 pt -72.17 -23.07 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -104.74 -25.88 12.49 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.501 1.52 . . . . 0.0 113.445 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 m -107.53 17.61 22.5 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.85 1.66 . . . . 0.0 113.487 -167.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -76.89 61.96 2.01 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.475 -1.391 . . . . 0.0 112.231 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -80.19 -1.8 42.02 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.394 1.478 . . . . 0.0 114.655 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.51 130.67 84.92 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 125.477 1.511 . . . . 0.0 110.731 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.49 -38.96 4.01 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.475 2.783 . . . . 0.0 115.316 -168.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -92.7 87.82 6.03 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.507 0.67 . . . . 0.0 111.108 -169.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -92.54 142.39 27.46 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.814 1.246 . . . . 0.0 112.229 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.3 t -67.36 136.94 93.57 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 125.002 1.321 . . . . 0.0 111.667 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.95 -10.31 24.55 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.318 2.679 . . . . 0.0 113.108 173.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.28 -27.88 7.46 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -145.06 -174.5 4.38 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.44 1.473 . . . . 0.0 113.683 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -72.94 -0.88 14.92 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.407 1.483 . . . . 0.0 114.423 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -59.39 141.92 53.47 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.153 1.381 . . . . 0.0 113.041 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.86 148.97 39.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.897 1.279 . . . . 0.0 112.311 171.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p -135.84 159.2 42.39 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.644 1.178 . . . . 0.0 113.109 172.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.49 -0.77 54.43 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.653 1.181 . . . . 0.0 112.874 170.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.15 124.11 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.881 2.073 . . . . 0.0 109.305 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -62.31 -36.81 83.3 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.039 0.936 . . . . 0.0 112.854 -175.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -31.59 72.76 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.849 0.86 . . . . 0.0 112.877 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -71.93 -39.3 69.55 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.426 -0.796 . . . . 0.0 111.107 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.79 -41.48 95.79 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.632 0.651 . . . . 0.0 111.619 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -56.64 -44.87 81.72 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.254 0.622 . . . . 0.0 111.845 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.49 -39.4 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.687 0.795 . . . . 0.0 111.897 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -57.99 -37.25 73.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.403 1.001 . . . . 0.0 113.076 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.59 -29.03 68.94 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.044 -1.035 . . . . 0.0 113.292 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -62.38 -21.35 65.28 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 172.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -77.31 -19.4 56.46 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.533 1.133 . . . . 0.0 113.136 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -82.21 76.51 9.09 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.862 1.265 . . . . 0.0 110.783 169.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.9 p -81.35 50.05 1.39 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.065 2.146 . . . . 0.0 113.678 -169.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.23 35.2 60.61 Favored Glycine 0 CA--C 1.537 1.465 0 O-C-N 121.491 -0.756 . . . . 0.0 112.806 -170.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 63.71 163.63 0.12 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.464 2.306 . . . . 0.0 115.369 -169.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -129.35 154.21 47.11 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.56 1.944 . . . . 0.0 111.649 -177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -125.01 153.0 43.48 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.807 2.043 . . . . 0.0 110.023 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.69 144.35 47.74 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.03 0.932 . . . . 0.0 112.939 -174.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.5 t -65.6 145.96 55.42 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.386 1.475 . . . . 0.0 112.062 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.03 -8.09 50.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.702 1.201 . . . . 0.0 112.646 175.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -119.27 -20.51 7.9 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.28 1.432 . . . . 0.0 113.561 -170.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.12 -170.1 3.46 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.93 1.692 . . . . 0.0 112.063 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 m -83.63 1.27 43.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.329 1.452 . . . . 0.0 114.723 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -63.07 145.31 55.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.781 1.232 . . . . 0.0 114.02 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -129.8 152.43 49.3 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.013 1.725 . . . . 0.0 112.0 172.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.1 t -145.14 157.33 44.12 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.629 1.172 . . . . 0.0 111.985 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.01 -1.03 57.57 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.102 1.361 . . . . 0.0 112.667 174.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 t -138.01 128.42 26.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.756 1.622 . . . . 0.0 111.483 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -68.17 -27.54 66.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.662 0.785 . . . . 0.0 112.917 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.27 -44.32 66.39 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.95 0.786 . . . . 0.0 112.159 174.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -69.58 -33.26 72.45 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.703 -0.88 . . . . 0.0 111.891 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.73 -38.33 90.63 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.644 -0.66 . . . . 0.0 112.274 171.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.75 -40.83 93.93 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.053 0.842 . . . . 0.0 111.368 173.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.5 t -66.38 -42.42 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.161 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -53.88 -45.7 71.11 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.402 1.455 . . . . 0.0 111.578 172.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.13 -47.92 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.297 -0.877 . . . . 0.0 111.342 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -61.6 -47.7 84.27 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -92.96 -16.75 24.76 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -168.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.4 -45.14 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.185 0.994 . . . . 0.0 112.075 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -104.82 -32.01 9.03 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -169.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -105.68 18.4 22.23 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.082 1.353 . . . . 0.0 114.011 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -65.31 154.14 39.1 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.839 1.655 . . . . 0.0 113.467 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.25 161.43 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.221 1.808 . . . . 0.0 111.98 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 126.047 1.739 . . . . 0.0 111.302 177.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -68.34 147.46 52.09 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.442 1.097 . . . . 0.0 113.17 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -70.72 146.17 50.04 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.433 1.093 . . . . 0.0 112.901 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.7 -0.3 89.98 Favored Glycine 0 CA--C 1.539 1.562 0 N-CA-C 116.13 1.212 . . . . 0.0 116.13 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m 59.02 11.14 1.83 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 116.113 1.894 . . . . 0.0 116.113 -174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -116.44 -4.01 11.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.023 1.729 . . . . 0.0 114.476 -176.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.63 -24.68 74.01 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 124.338 0.97 . . . . 0.0 115.149 -173.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -147.65 139.37 23.98 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.276 1.43 . . . . 0.0 111.263 171.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.2 mt -141.28 142.51 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.492 1.917 . . . . 0.0 108.328 -172.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.57 131.91 56.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.436 1.094 . . . . 0.0 110.867 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.0 m -134.64 134.74 41.51 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.764 0.826 . . . . 0.0 111.9 -170.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -71.17 131.95 44.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.131 1.372 . . . . 0.0 111.488 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.06 -7.11 59.48 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.09 -31.59 8.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.549 1.139 . . . . 0.0 113.903 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -133.49 9.31 3.98 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 59.47 13.52 3.3 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.801 2.041 . . . . 0.0 115.824 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -65.86 149.45 50.17 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.719 1.208 . . . . 0.0 111.927 173.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.42 138.04 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.195 1.398 . . . . 0.0 110.88 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -133.37 145.65 50.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.79 2.036 . . . . 0.0 110.984 -173.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.42 -28.8 62.19 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.237 1.015 . . . . 0.0 113.302 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -134.55 153.58 51.88 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.692 1.197 . . . . 0.0 113.038 -170.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -61.5 -45.38 94.47 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.6 1.16 . . . . 0.0 112.408 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -63.28 -35.15 79.41 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.227 0.611 . . . . 0.0 112.485 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 m -63.77 -43.02 97.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.536 0.734 . . . . 0.0 111.952 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 tp -67.38 -44.72 78.26 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.21 0.459 . . . . 0.0 111.942 172.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -57.99 -41.02 82.13 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.428 -0.795 . . . . 0.0 112.61 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.82 -34.0 68.96 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -66.05 -42.77 89.08 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.433 0.693 . . . . 0.0 112.213 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.12 -19.7 47.05 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -59.0 -22.38 60.54 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.81 1.244 . . . . 0.0 114.163 176.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 pt -76.72 -29.33 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 119.312 0.96 . . . . 0.0 112.834 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -86.92 -20.18 27.75 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.412 1.085 . . . . 0.0 113.155 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.6 p -86.14 13.66 7.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.244 1.418 . . . . 0.0 113.572 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -79.14 59.77 2.83 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.632 1.573 . . . . 0.0 112.397 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.94 30.81 6.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.064 1.746 . . . . 0.0 111.962 -175.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.07 125.56 89.48 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 125.082 1.353 . . . . 0.0 112.439 -169.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -79.93 -36.2 0.61 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.315 2.677 . . . . 0.0 115.302 -173.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -82.23 79.28 8.76 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.852 0.834 . . . . 0.0 111.401 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -84.78 141.58 30.41 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.073 1.749 . . . . 0.0 111.507 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.1 t -70.78 136.62 85.44 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.404 1.082 . . . . 0.0 111.572 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -73.08 -9.9 23.93 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 123.405 2.737 . . . . 0.0 113.131 171.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -117.17 -25.15 7.22 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.7 p -145.18 -172.22 3.82 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.531 1.514 . . . . 0.0 113.631 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.9 p -76.57 -0.53 23.58 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.625 1.57 . . . . 0.0 114.65 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -57.28 139.69 52.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.345 1.458 . . . . 0.0 112.875 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.87 148.37 33.87 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.143 1.377 . . . . 0.0 112.001 169.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 t -145.47 175.96 9.95 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.236 1.015 . . . . 0.0 113.474 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.41 -0.75 42.98 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.964 1.706 . . . . 0.0 114.016 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 mt -135.99 131.64 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.939 1.296 . . . . 0.0 110.442 -177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -62.74 -39.39 93.96 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.11 0.964 . . . . 0.0 112.574 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.61 74.87 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.598 0.759 . . . . 0.0 112.608 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -70.52 -37.6 74.15 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.115 -0.991 . . . . 0.0 111.351 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.24 -36.32 83.27 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.612 -0.68 . . . . 0.0 112.141 169.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -62.99 -41.83 99.68 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.896 -1.127 . . . . 0.0 111.688 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.0 -24.43 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.079 1.352 . . . . 0.0 112.436 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -79.16 -42.43 26.16 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 171.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -60.9 -35.25 76.18 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.656 -1.277 . . . . 0.0 112.617 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -66.37 -8.82 28.01 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -87.99 -11.02 48.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.453 1.501 . . . . 0.0 113.638 171.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -77.7 -16.21 58.63 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.7 t -89.16 164.75 14.87 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.49 1.041 . . . . 0.0 112.239 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.2 176.76 51.22 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.098 1.332 . . . . 0.0 115.205 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -70.84 144.43 50.75 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.618 1.967 . . . . 0.0 112.005 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -130.41 152.86 49.35 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.314 1.446 . . . . 0.0 113.977 -169.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -120.11 142.81 48.56 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.387 2.275 . . . . 0.0 108.238 168.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.3 141.77 49.71 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.045 0.938 . . . . 0.0 113.321 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.1 t -65.99 145.86 55.38 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.99 1.316 . . . . 0.0 112.344 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -88.07 -10.28 50.68 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.717 1.207 . . . . 0.0 112.611 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -119.95 -20.68 7.41 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.034 1.334 . . . . 0.0 113.995 -170.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.5 p -146.74 -172.88 4.08 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.497 1.519 . . . . 0.0 112.405 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 m -80.55 0.9 31.86 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.184 1.393 . . . . 0.0 114.609 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -63.02 144.68 56.67 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.505 1.122 . . . . 0.0 113.724 -176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.6 p -134.85 152.85 52.09 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.21 1.404 . . . . 0.0 111.662 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.4 t -144.02 158.6 43.61 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.286 1.034 . . . . 0.0 112.279 177.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.57 -3.54 50.69 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.688 1.595 . . . . 0.0 113.409 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 t -134.27 131.43 38.44 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.193 1.397 . . . . 0.0 111.942 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -21.27 63.21 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 171.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.23 -44.52 28.4 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.104 0.859 . . . . 0.0 111.797 173.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -66.73 -34.67 78.36 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.818 -0.813 . . . . 0.0 111.594 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.0 -40.45 96.38 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.515 -0.741 . . . . 0.0 112.386 173.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.27 -43.01 92.54 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.542 -0.724 . . . . 0.0 111.247 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.73 -40.53 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.311 0.644 . . . . 0.0 111.858 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -55.51 -45.68 77.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.544 1.066 . . . . 0.0 111.224 172.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.55 -47.37 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.408 -0.807 . . . . 0.0 110.728 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.59 -20.9 65.43 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.057 1.502 . . . . 0.0 115.057 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -103.23 -36.97 7.89 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -92.48 -36.92 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.664 0.786 . . . . 0.0 112.278 -174.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -114.08 -32.16 6.12 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -169.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -78.46 81.99 4.76 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.351 0.978 . . . . 0.0 110.062 170.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -78.03 52.79 1.11 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.74 2.016 . . . . 0.0 113.808 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.8 pt -75.31 156.15 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.172 1.389 . . . . 0.0 112.064 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt . . . . . 0 C--O 1.252 1.207 0 C-N-CA 126.613 1.965 . . . . 0.0 112.794 178.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 112.06 -0.416 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m -67.73 149.61 49.74 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.546 1.138 . . . . 0.0 113.024 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.2 p -79.46 -9.79 59.68 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.936 1.294 . . . . 0.0 114.346 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.72 -168.76 32.93 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.847 1.689 . . . . 0.0 112.534 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -76.47 -20.59 56.84 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 m 54.56 26.42 7.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.968 1.707 . . . . 0.0 114.632 -175.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.97 151.47 52.47 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.347 0.975 . . . . 0.0 113.622 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -145.48 151.19 37.79 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.435 1.494 . . . . 0.0 112.582 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.5 mt -137.57 143.19 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 126.524 1.93 . . . . 0.0 109.139 -172.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -120.02 109.23 15.25 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.28 1.032 . . . . 0.0 111.566 -170.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 m -120.66 135.69 55.05 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.124 0.97 . . . . 0.0 112.261 -174.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.47 130.83 44.03 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.948 2.099 . . . . 0.0 111.588 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.89 -8.14 59.66 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -105.49 -32.58 8.46 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.317 1.047 . . . . 0.0 113.785 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -133.09 7.04 3.94 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.9 t30 59.29 16.31 4.91 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.474 1.91 . . . . 0.0 115.73 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -68.58 144.35 54.57 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.994 -1.066 . . . . 0.0 110.868 169.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 p -125.17 138.87 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.345 1.058 . . . . 0.0 112.308 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -130.11 148.6 51.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.704 2.401 . . . . 0.0 110.38 -169.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -78.99 -17.7 54.94 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -177.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -136.94 151.28 48.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.757 1.223 . . . . 0.0 112.662 -171.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -62.46 -44.75 95.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.355 1.062 . . . . 0.0 112.482 -177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -63.44 -36.84 85.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.43 0.692 . . . . 0.0 112.434 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.1 m -63.53 -42.7 98.41 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.583 0.753 . . . . 0.0 112.111 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -69.04 -46.03 68.92 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.34 0.518 . . . . 0.0 111.744 172.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -60.58 -37.46 81.4 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.383 0.992 . . . . 0.0 112.97 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.4 61.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -64.92 -44.46 89.44 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.604 0.638 . . . . 0.0 112.093 171.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.65 -24.11 54.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.523 1.129 . . . . 0.0 113.633 -175.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -51.53 -30.75 21.61 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.207 1.403 . . . . 0.0 114.051 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 pt -71.82 -23.86 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -100.98 -38.54 8.16 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.527 1.531 . . . . 0.0 112.496 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.1 p -80.8 -16.01 54.9 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -171.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -129.46 125.99 37.7 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.553 1.141 . . . . 0.0 111.469 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -131.56 11.3 4.85 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.712 1.605 . . . . 0.0 112.57 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -75.21 133.48 74.99 Favored Pre-proline 0 CA--C 1.546 0.826 0 O-C-N 120.906 -1.121 . . . . 0.0 112.0 -171.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -76.11 -40.13 0.73 Allowed 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.472 2.781 . . . . 0.0 114.896 -174.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -87.42 83.64 7.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.554 0.692 . . . . 0.0 110.786 -172.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -89.33 144.58 25.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.11 1.764 . . . . 0.0 112.354 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.7 t -75.05 137.1 72.66 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.887 1.275 . . . . 0.0 111.437 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.76 -14.87 15.47 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.628 2.885 . . . . 0.0 112.909 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -107.19 -27.34 10.62 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -173.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.5 p -144.62 -175.62 4.73 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.255 1.389 . . . . 0.0 113.135 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -71.95 -1.17 13.5 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.341 1.456 . . . . 0.0 114.625 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -61.05 141.05 57.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.731 1.612 . . . . 0.0 113.611 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.66 151.13 35.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.069 1.348 . . . . 0.0 112.009 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t -142.13 165.09 28.4 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.369 1.068 . . . . 0.0 113.322 174.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.15 -6.53 59.29 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.134 1.374 . . . . 0.0 113.542 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.7 mm -125.23 133.57 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.584 1.554 . . . . 0.0 110.888 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.82 -37.56 84.75 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.816 0.846 . . . . 0.0 112.463 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.15 86.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.72 0.808 . . . . 0.0 112.682 173.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -61.48 -43.45 98.85 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.582 1.083 . . . . 0.0 111.448 172.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 tp -62.83 -36.8 84.39 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.812 -0.555 . . . . 0.0 112.262 174.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -64.38 -42.65 96.05 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.91 1.232 . . . . 0.0 112.588 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.2 -23.63 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.884 1.274 . . . . 0.0 112.126 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -83.07 -44.16 15.48 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.573 1.149 . . . . 0.0 113.715 172.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.43 -33.03 73.99 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.52 -1.363 . . . . 0.0 112.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -65.08 -12.08 46.73 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 173.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -80.84 -19.67 44.08 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.918 1.287 . . . . 0.0 112.783 169.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -89.61 25.14 2.08 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.949 1.7 . . . . 0.0 114.491 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 p -69.15 134.23 49.03 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.279 -1.513 . . . . 0.0 111.685 171.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.72 21.31 77.88 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 115.366 0.906 . . . . 0.0 115.366 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.33 167.59 20.68 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.291 1.436 . . . . 0.0 113.252 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -69.8 147.25 50.66 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.176 1.39 . . . . 0.0 112.639 170.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -123.98 133.96 53.57 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.632 2.373 . . . . 0.0 107.774 169.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.59 145.04 46.76 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -169.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.0 t -70.94 146.97 49.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.026 1.33 . . . . 0.0 112.419 176.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -93.86 -9.96 35.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.223 1.409 . . . . 0.0 112.509 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -117.7 -17.96 9.77 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.327 1.451 . . . . 0.0 113.617 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 p -148.56 -173.58 4.37 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.893 1.677 . . . . 0.0 111.934 171.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.2 m -80.94 1.86 29.25 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.262 1.425 . . . . 0.0 114.577 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.93 146.2 54.48 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.7 p -136.03 152.86 51.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.763 1.225 . . . . 0.0 111.985 168.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 27.1 p -144.01 -177.42 5.43 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.345 1.858 . . . . 0.0 110.452 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.79 15.3 21.97 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -174.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -152.8 142.24 21.69 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.615 1.166 . . . . 0.0 112.171 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -60.41 -28.35 68.18 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.772 0.829 . . . . 0.0 112.959 169.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.81 -42.49 78.84 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 123.8 0.714 . . . . 0.0 112.262 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.79 -34.44 78.17 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.696 -0.885 . . . . 0.0 111.569 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.11 -44.59 79.54 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 111.84 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -58.89 -43.26 90.91 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.103 0.961 . . . . 0.0 111.49 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.94 -41.59 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.224 1.01 . . . . 0.0 112.115 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -58.52 -46.89 85.81 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.289 0.95 . . . . 0.0 111.689 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.0 -44.85 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 121.599 -0.688 . . . . 0.0 110.511 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.73 -33.3 73.8 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -89.9 -36.38 15.07 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -102.56 -34.65 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -169.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -119.09 -32.01 4.56 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -169.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -73.96 133.38 43.02 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.649 1.18 . . . . 0.0 111.376 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -78.09 155.44 30.56 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.755 1.222 . . . . 0.0 113.031 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.7 tp -102.58 -7.77 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.75 1.62 . . . . 0.0 113.632 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.434 1.893 . . . . 0.0 112.321 -175.491 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m 61.95 163.36 0.08 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.859 2.064 . . . . 0.0 115.401 -175.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -71.12 142.83 50.75 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.427 1.091 . . . . 0.0 112.71 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.23 158.67 49.6 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.228 0.918 . . . . 0.0 113.465 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 m -71.83 145.75 48.42 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.258 1.023 . . . . 0.0 112.371 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 m -76.7 143.08 40.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.07 0.948 . . . . 0.0 112.575 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 -169.85 43.13 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.505 1.05 . . . . 0.0 115.001 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -76.53 150.26 36.59 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.896 1.278 . . . . 0.0 111.478 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.7 mt -114.9 139.15 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.64 1.576 . . . . 0.0 109.382 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.9 133.63 53.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.016 1.326 . . . . 0.0 110.427 -172.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.8 m -131.5 135.04 46.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.526 0.73 . . . . 0.0 112.364 -169.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -73.87 133.96 43.21 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.309 1.443 . . . . 0.0 111.962 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.28 -10.16 58.69 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -104.23 -32.25 9.2 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -174.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -132.29 3.68 3.98 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.1 t30 58.78 20.37 7.86 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.216 1.806 . . . . 0.0 115.331 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -68.23 152.42 45.49 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.157 -0.964 . . . . 0.0 111.525 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.63 137.73 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.279 1.432 . . . . 0.0 110.755 -176.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -132.89 146.45 51.81 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.711 2.005 . . . . 0.0 111.277 -172.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -79.22 -21.39 46.32 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.86 1.264 . . . . 0.0 113.617 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -137.75 151.83 48.59 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.627 1.171 . . . . 0.0 112.558 -173.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.42 -42.6 95.95 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.096 0.959 . . . . 0.0 112.445 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -63.29 -35.7 81.23 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.28 0.632 . . . . 0.0 112.36 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.1 m -63.41 -43.25 98.05 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.555 0.742 . . . . 0.0 111.89 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.8 -45.87 77.0 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.518 0.599 . . . . 0.0 111.873 172.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -59.29 -40.16 85.27 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.15 0.886 . . . . 0.0 112.584 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.46 -34.88 68.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.314 0.646 . . . . 0.0 112.635 174.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -64.79 -44.04 91.24 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.373 0.669 . . . . 0.0 112.074 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.02 -23.63 54.99 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.984 0.913 . . . . 0.0 113.393 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -63.57 -20.73 65.88 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 pt -70.32 -25.65 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.685 1.13 . . . . 0.0 112.489 173.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -98.88 -44.15 6.47 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.358 1.463 . . . . 0.0 112.389 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -90.97 -8.6 48.76 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -170.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -126.77 145.21 50.7 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.543 1.137 . . . . 0.0 111.449 172.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -72.57 128.9 36.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.469 1.108 . . . . 0.0 111.035 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -139.45 135.9 17.38 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 125.0 1.32 . . . . 0.0 111.228 -177.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -73.0 -45.19 0.48 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.388 2.725 . . . . 0.0 114.728 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -91.55 83.35 5.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.861 0.755 . . . . 0.0 112.348 -169.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.29 145.17 44.18 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.29 1.036 . . . . 0.0 111.766 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.6 t -71.07 137.87 84.76 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.06 1.344 . . . . 0.0 111.003 169.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -75.73 -9.96 19.9 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.467 2.778 . . . . 0.0 113.131 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -113.61 -27.73 7.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -174.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.8 p -143.34 -173.49 3.95 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 120.155 1.343 . . . . 0.0 113.283 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -72.09 -7.84 51.25 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.282 1.433 . . . . 0.0 114.527 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -54.79 140.43 36.34 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.842 1.657 . . . . 0.0 113.413 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.98 150.38 36.83 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.567 1.147 . . . . 0.0 111.866 168.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -134.88 159.35 41.69 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.867 1.267 . . . . 0.0 113.17 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.4 -6.63 58.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.895 1.278 . . . . 0.0 112.912 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.5 mt -128.26 126.08 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.092 1.357 . . . . 0.0 110.291 -174.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -67.27 -34.67 77.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.929 0.892 . . . . 0.0 112.536 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.43 73.87 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.057 0.943 . . . . 0.0 112.766 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -71.38 -39.34 71.27 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.606 -0.684 . . . . 0.0 111.281 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.5 -38.92 89.08 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.422 -0.799 . . . . 0.0 111.614 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -66.96 -12.49 59.82 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 174.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.3 t -95.47 -38.0 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.899 1.28 . . . . 0.0 110.916 168.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.33 -40.05 96.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.287 1.035 . . . . 0.0 113.617 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -59.11 -28.45 66.54 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.158 -0.964 . . . . 0.0 113.171 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -62.06 -22.92 66.16 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.565 1.146 . . . . 0.0 112.826 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -76.94 -19.79 56.95 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.709 1.204 . . . . 0.0 112.999 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -88.18 12.32 14.09 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.303 1.441 . . . . 0.0 114.35 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 t -134.19 151.0 51.11 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.651 1.18 . . . . 0.0 112.272 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.61 -5.95 57.55 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.055 1.312 . . . . 0.0 114.473 171.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -149.6 155.3 40.06 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.036 1.418 . . . . 0.0 114.32 -173.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -141.01 159.98 41.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.369 1.868 . . . . 0.0 111.352 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -113.19 146.15 39.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.076 1.75 . . . . 0.0 110.067 172.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.13 144.21 42.9 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.962 0.905 . . . . 0.0 113.319 -169.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.8 t -71.17 148.08 47.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.198 1.399 . . . . 0.0 112.737 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -95.07 -10.1 31.73 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.328 1.451 . . . . 0.0 112.525 175.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -116.95 -19.81 9.65 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.246 1.419 . . . . 0.0 113.633 -171.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.4 p -146.18 -170.19 3.43 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.8 1.64 . . . . 0.0 111.875 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 p -84.41 1.38 45.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.664 1.586 . . . . 0.0 114.812 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.97 144.84 56.46 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.3 p -138.57 150.43 46.32 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.047 1.339 . . . . 0.0 112.401 171.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.8 p -145.97 173.34 12.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.607 1.563 . . . . 0.0 112.493 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.27 7.44 45.67 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.6 t -144.55 141.68 29.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.039 1.336 . . . . 0.0 112.13 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.15 -29.61 68.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.453 1.101 . . . . 0.0 112.33 172.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.34 -42.64 93.89 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 123.703 0.668 . . . . 0.0 111.784 171.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -65.14 -36.11 83.22 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.794 -0.827 . . . . 0.0 111.666 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.45 -42.73 95.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.433 0.693 . . . . 0.0 111.706 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -58.92 -48.02 82.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.156 0.583 . . . . 0.0 110.779 174.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.89 -42.06 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 118.67 0.668 . . . . 0.0 111.559 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -57.32 -49.43 76.13 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.367 0.985 . . . . 0.0 111.806 174.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.31 -44.82 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.059 -1.026 . . . . 0.0 111.231 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -74.43 -17.57 60.77 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -107.01 -30.39 8.85 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 175.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.72 -39.83 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 119.43 1.014 . . . . 0.0 112.171 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -102.75 -22.17 13.96 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -84.03 151.06 25.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.435 1.094 . . . . 0.0 111.007 167.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -107.48 -1.1 21.72 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.054 1.742 . . . . 0.0 115.034 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 pp -86.4 162.92 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.533 1.533 . . . . 0.0 113.352 -175.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.7 tttt . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.593 1.957 . . . . 0.0 111.313 -178.695 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 62.35 -17.8 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -148.3 160.6 42.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.807 1.643 . . . . 0.0 112.077 174.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.42 -165.45 49.69 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.239 0.923 . . . . 0.0 114.245 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -152.48 172.55 16.36 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.151 1.38 . . . . 0.0 112.24 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -71.52 -13.53 61.83 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 171.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.2 36.74 1.52 Allowed Glycine 0 CA--C 1.539 1.568 0 C-N-CA 126.163 1.839 . . . . 0.0 115.043 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -67.7 148.15 51.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.181 1.392 . . . . 0.0 112.628 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.1 mt -121.63 143.87 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.698 1.999 . . . . 0.0 108.964 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -121.29 135.16 55.15 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.098 1.359 . . . . 0.0 110.56 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -133.84 134.36 42.7 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.489 0.715 . . . . 0.0 111.935 -169.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 t -72.58 130.71 41.23 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.982 1.313 . . . . 0.0 111.467 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.37 -7.99 59.48 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -104.54 -31.4 9.46 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.521 1.128 . . . . 0.0 113.86 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 p -133.69 7.37 3.8 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.28 18.36 6.58 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.35 1.86 . . . . 0.0 115.344 175.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -69.31 150.6 47.19 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.959 -1.088 . . . . 0.0 111.795 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.9 t -118.12 136.85 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.459 1.504 . . . . 0.0 110.627 -176.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -133.93 147.38 51.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.636 1.974 . . . . 0.0 111.575 -172.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -77.08 -26.37 53.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.35 1.06 . . . . 0.0 113.632 -175.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -136.1 156.22 49.03 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.649 1.18 . . . . 0.0 112.773 -173.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -61.51 -41.61 97.57 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.133 0.973 . . . . 0.0 111.983 177.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -65.47 -32.13 73.58 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 m -65.75 -45.22 83.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.701 0.8 . . . . 0.0 111.53 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.9 tp -66.29 -43.13 87.17 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.973 -0.454 . . . . 0.0 112.0 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -59.86 -40.52 88.88 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.196 -0.94 . . . . 0.0 112.504 177.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.03 -30.92 64.11 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -68.23 -41.99 80.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.729 0.811 . . . . 0.0 112.149 172.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.0 mt -59.42 -17.04 27.36 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.658 1.183 . . . . 0.0 114.1 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -57.31 -22.95 45.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 pt -80.75 -26.23 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 119.22 0.918 . . . . 0.0 113.097 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -95.03 -27.53 15.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.096 1.358 . . . . 0.0 113.085 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -139.37 135.28 33.53 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.43 1.092 . . . . 0.0 112.246 172.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -149.48 41.77 0.88 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.01 1.724 . . . . 0.0 110.492 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.09 -26.2 68.44 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -114.28 130.39 24.01 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 125.307 1.443 . . . . 0.0 110.008 172.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -66.65 -46.05 4.1 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.077 2.518 . . . . 0.0 113.863 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -97.92 137.27 37.01 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.244 1.018 . . . . 0.0 110.868 -173.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -124.49 147.61 48.25 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.789 1.635 . . . . 0.0 111.911 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.4 t -71.34 133.47 85.27 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.488 1.115 . . . . 0.0 110.835 173.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.99 -9.29 16.75 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.619 2.879 . . . . 0.0 112.838 172.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -108.54 -29.11 8.94 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.8 p -143.51 -176.52 4.99 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.991 1.268 . . . . 0.0 112.846 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -70.72 -0.51 9.0 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.018 1.327 . . . . 0.0 114.347 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -64.95 145.79 55.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.043 1.737 . . . . 0.0 113.512 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.57 158.77 43.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.784 1.234 . . . . 0.0 112.641 170.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -139.06 153.17 48.03 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.607 1.963 . . . . 0.0 112.904 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.66 -8.1 57.74 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.804 1.241 . . . . 0.0 113.227 169.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.6 131.5 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.317 1.447 . . . . 0.0 110.757 -171.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -66.49 -34.83 78.79 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.653 0.781 . . . . 0.0 112.662 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.76 -28.73 63.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.248 1.019 . . . . 0.0 113.191 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -72.68 -37.9 67.73 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.783 -1.198 . . . . 0.0 110.849 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.8 tp -64.34 -34.86 79.11 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.668 -0.645 . . . . 0.0 112.256 171.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -57.66 -49.87 75.05 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.172 -0.955 . . . . 0.0 111.569 171.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.02 -34.07 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.103 0.961 . . . . 0.0 111.849 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -68.55 -42.18 78.73 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.442 -0.786 . . . . 0.0 112.999 173.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.66 -31.1 72.16 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.48 -1.388 . . . . 0.0 112.243 173.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -65.88 -8.25 21.07 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.656 1.183 . . . . 0.0 113.907 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -87.23 -26.78 23.33 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.837 1.255 . . . . 0.0 112.385 167.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -87.52 -29.19 21.52 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.337 1.455 . . . . 0.0 113.954 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.7 t -62.47 148.85 44.42 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -176.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.96 165.95 54.31 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.817 1.199 . . . . 0.0 115.509 -171.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -91.31 141.19 29.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.483 1.513 . . . . 0.0 110.5 173.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -108.85 153.82 22.98 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.504 1.522 . . . . 0.0 113.8 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -109.13 154.32 22.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.125 2.17 . . . . 0.0 110.334 174.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.49 145.29 49.62 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.451 1.101 . . . . 0.0 113.116 -175.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 45.9 t -64.78 141.72 58.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.194 1.398 . . . . 0.0 111.473 174.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.95 -7.19 59.26 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.302 1.041 . . . . 0.0 112.56 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -121.47 -23.41 5.65 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.167 1.387 . . . . 0.0 113.996 -169.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.4 p -145.72 -170.15 3.39 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.488 1.515 . . . . 0.0 112.368 176.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -81.59 -0.67 43.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.261 1.424 . . . . 0.0 114.766 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -63.47 145.76 54.99 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.307 1.043 . . . . 0.0 113.717 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.2 p -137.9 149.34 46.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.458 1.503 . . . . 0.0 112.033 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.4 t -148.01 150.01 33.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.399 1.08 . . . . 0.0 111.857 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -81.4 -7.4 59.57 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.852 0.861 . . . . 0.0 113.002 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.6 t -112.58 124.26 52.13 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.524 1.53 . . . . 0.0 111.157 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.77 -32.42 72.16 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.95 0.9 . . . . 0.0 111.92 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.87 93.74 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 123.991 0.805 . . . . 0.0 112.505 173.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -68.47 -32.74 72.96 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.676 -0.897 . . . . 0.0 112.286 175.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.72 -40.59 92.36 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.513 -0.742 . . . . 0.0 112.062 171.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.73 -42.2 98.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.325 -0.859 . . . . 0.0 111.561 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.21 -41.36 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.659 0.783 . . . . 0.0 111.64 174.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.06 -46.22 85.76 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.378 0.99 . . . . 0.0 111.636 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.51 -43.9 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 121.502 -0.748 . . . . 0.0 111.099 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -67.39 -30.96 70.87 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -85.5 -39.44 17.45 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -102.35 -30.18 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.232 1.013 . . . . 0.0 113.103 -169.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -126.7 15.31 7.54 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -169.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -138.7 161.67 36.59 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.346 1.858 . . . . 0.0 111.468 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.16 154.23 42.17 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.473 1.109 . . . . 0.0 112.884 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.0 pt -64.98 144.86 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.583 1.153 . . . . 0.0 111.719 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.757 2.023 . . . . 0.0 112.718 -174.503 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -65.94 -17.13 64.46 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -174.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -73.71 -12.72 60.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.782 1.233 . . . . 0.0 114.003 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.87 157.56 53.57 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.539 1.066 . . . . 0.0 113.983 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 p -78.27 150.2 33.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.749 1.219 . . . . 0.0 113.094 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -138.51 150.52 46.48 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.535 1.534 . . . . 0.0 111.727 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.15 161.2 54.29 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.018 0.818 . . . . 0.0 113.738 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -73.78 151.93 40.47 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.461 1.104 . . . . 0.0 111.744 176.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -126.68 141.17 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.05 1.74 . . . . 0.0 109.318 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -123.1 136.71 54.91 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.39 1.476 . . . . 0.0 110.434 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.2 m -133.43 134.99 44.31 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.514 0.726 . . . . 0.0 111.982 -170.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -72.11 129.26 38.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.217 1.407 . . . . 0.0 111.303 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -82.79 -6.74 59.56 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -106.57 -31.91 8.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.508 1.123 . . . . 0.0 113.786 -174.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -133.37 7.76 3.92 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 60.17 14.82 4.77 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.41 1.884 . . . . 0.0 115.863 175.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -65.45 150.94 47.5 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 111.887 170.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -120.18 137.73 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.289 1.436 . . . . 0.0 110.769 -176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -134.69 148.88 50.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.786 2.034 . . . . 0.0 111.248 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -78.4 -25.48 46.13 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -137.11 154.36 50.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.424 1.09 . . . . 0.0 112.931 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.92 -41.88 92.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.682 1.193 . . . . 0.0 112.268 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -65.72 -32.73 74.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.54 0.736 . . . . 0.0 112.844 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.5 m -67.92 -43.65 78.69 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.455 0.702 . . . . 0.0 111.561 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.73 -43.24 89.63 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.181 0.446 . . . . 0.0 111.9 172.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -61.5 -39.36 90.7 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.428 1.013 . . . . 0.0 112.852 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.91 -31.1 64.43 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -67.87 -42.31 81.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.448 0.699 . . . . 0.0 112.115 170.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.98 -18.5 34.62 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.904 1.282 . . . . 0.0 114.114 -176.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -53.48 -26.65 21.42 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 pt -79.89 -19.14 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -105.66 -26.86 11.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.778 1.631 . . . . 0.0 113.694 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.1 p -75.37 -16.0 60.42 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.71 150.46 44.38 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.431 1.092 . . . . 0.0 113.207 172.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -70.6 161.0 31.49 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.241 1.817 . . . . 0.0 114.922 -170.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -129.71 144.31 52.47 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 126.841 2.056 . . . . 0.0 110.016 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -70.16 -42.08 3.27 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.411 2.074 . . . . 0.0 112.978 175.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -96.29 114.51 26.2 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.683 0.793 . . . . 0.0 110.957 -175.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -131.69 144.23 50.85 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 128.08 2.552 . . . . 0.0 110.569 -171.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.5 t -72.86 135.94 80.34 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.007 0.923 . . . . 0.0 111.814 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.55 -10.27 18.72 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.533 2.822 . . . . 0.0 113.141 172.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -116.79 -24.09 7.84 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.6 p -143.54 -176.44 4.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 120.333 1.424 . . . . 0.0 113.005 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -71.05 -1.7 13.05 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.015 1.326 . . . . 0.0 114.297 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -62.92 141.69 58.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.667 1.587 . . . . 0.0 113.668 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.73 152.61 36.92 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.461 1.504 . . . . 0.0 110.536 168.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -128.75 -25.9 2.77 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 -169.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 57.73 11.59 1.37 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.941 1.296 . . . . 0.0 114.169 -165.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.0 mt -139.92 123.48 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.356 1.463 . . . . 0.0 110.096 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -59.5 -45.45 91.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.851 1.261 . . . . 0.0 112.661 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.39 -36.03 82.36 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.145 0.978 . . . . 0.0 112.85 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -71.77 -39.72 69.78 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.612 -0.68 . . . . 0.0 111.101 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.67 -38.76 92.35 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.527 -0.733 . . . . 0.0 112.26 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -60.66 -36.03 77.72 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.965 0.906 . . . . 0.0 112.087 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.7 t -79.07 -33.34 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.158 -0.964 . . . . 0.0 112.146 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.08 -40.64 98.25 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.958 -1.088 . . . . 0.0 112.897 174.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.34 -31.93 70.77 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.906 -1.121 . . . . 0.0 112.645 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -66.45 -9.56 35.32 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -86.9 -17.83 32.31 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.162 1.385 . . . . 0.0 113.254 171.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -81.65 67.27 7.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.755 1.222 . . . . 0.0 111.436 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.5 p -133.08 163.07 30.08 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.18 1.792 . . . . 0.0 112.212 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.29 -172.62 25.47 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.855 1.216 . . . . 0.0 113.847 -177.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -74.26 119.54 18.6 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.285 1.034 . . . . 0.0 111.982 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -91.16 153.25 20.17 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.14 1.376 . . . . 0.0 113.345 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -119.7 143.98 47.46 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.949 2.5 . . . . 0.0 108.245 169.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.82 144.19 51.04 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -169.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.2 t -68.97 145.25 53.76 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.0 1.32 . . . . 0.0 112.504 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -91.63 -9.78 42.77 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.933 1.293 . . . . 0.0 112.425 175.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -118.02 -19.55 9.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.302 1.441 . . . . 0.0 113.679 -171.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.7 p -146.93 -168.18 2.97 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.848 1.659 . . . . 0.0 111.98 172.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.0 p -85.94 1.26 50.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.783 1.633 . . . . 0.0 114.884 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -62.78 144.22 56.72 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.585 1.154 . . . . 0.0 114.103 -175.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.3 p -137.25 148.79 46.69 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.088 1.355 . . . . 0.0 112.448 170.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.3 p -145.65 166.44 25.8 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.487 1.515 . . . . 0.0 112.093 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.3 mt -92.81 12.3 24.04 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.654 1.181 . . . . 0.0 114.112 -176.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.0 t -147.61 140.38 24.81 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.064 1.346 . . . . 0.0 111.907 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -68.03 -25.07 65.2 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.014 0.926 . . . . 0.0 113.005 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.88 -42.83 76.96 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 123.71 0.671 . . . . 0.0 111.783 171.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.75 -34.99 79.12 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.956 -0.732 . . . . 0.0 111.498 172.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.1 tp -66.74 -42.75 85.74 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.654 -0.654 . . . . 0.0 112.051 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.1 -46.83 87.29 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.199 0.6 . . . . 0.0 111.099 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.15 -42.17 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.746 0.818 . . . . 0.0 111.704 175.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -59.52 -47.75 84.31 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.932 0.787 . . . . 0.0 111.995 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.62 -45.63 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 121.444 -0.785 . . . . 0.0 111.046 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -63.21 -39.31 94.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.443 0.697 . . . . 0.0 112.829 178.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -80.0 -40.98 26.77 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -98.42 -36.36 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.96 0.904 . . . . 0.0 113.005 -169.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -110.14 -37.25 5.62 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -170.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -78.47 -23.06 46.65 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.773 0.715 . . . . 0.0 111.449 167.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 mttm 53.96 50.54 16.54 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.306 2.243 . . . . 0.0 112.627 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.8 tp -59.54 137.67 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.627 1.171 . . . . 0.0 112.252 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm . . . . . 0 C--O 1.252 1.221 0 C-N-CA 127.004 2.122 . . . . 0.0 111.386 -176.371 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -68.41 147.84 51.51 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.462 1.105 . . . . 0.0 112.984 -178.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -76.43 -17.04 59.54 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -174.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.09 -168.32 50.56 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.425 1.012 . . . . 0.0 113.742 -174.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.9 p -149.34 158.87 44.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.104 1.362 . . . . 0.0 112.672 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -152.81 158.86 42.86 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.326 1.45 . . . . 0.0 111.487 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.54 173.28 54.44 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.612 1.101 . . . . 0.0 114.418 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -74.6 173.64 10.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.366 1.066 . . . . 0.0 112.666 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -112.41 145.39 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.802 1.641 . . . . 0.0 110.114 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -124.83 142.92 51.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.317 1.847 . . . . 0.0 110.909 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.0 m -136.27 136.93 40.23 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.801 0.84 . . . . 0.0 112.451 -172.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -71.78 131.81 43.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.419 1.488 . . . . 0.0 111.834 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.08 -9.68 59.46 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -105.35 -32.33 8.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -175.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.08 6.97 3.94 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.9 t30 58.15 19.32 5.99 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.242 1.817 . . . . 0.0 115.593 175.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -68.66 151.55 46.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.5 1.12 . . . . 0.0 111.508 170.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -119.41 136.99 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.19 1.396 . . . . 0.0 110.914 -174.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -134.03 148.41 51.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.588 1.955 . . . . 0.0 111.458 -172.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -77.88 -24.19 48.57 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -138.17 151.65 47.93 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.342 1.057 . . . . 0.0 112.463 -169.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.29 -45.78 93.06 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.516 1.126 . . . . 0.0 112.345 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -66.38 -33.52 75.91 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.313 0.645 . . . . 0.0 112.594 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.9 m -63.32 -43.47 97.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.521 0.728 . . . . 0.0 111.647 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.88 -45.53 81.71 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 119.019 -0.515 . . . . 0.0 111.682 171.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.77 -40.58 84.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.731 1.15 . . . . 0.0 112.911 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 -34.52 70.8 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 175.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -64.85 -45.07 87.66 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.849 -0.532 . . . . 0.0 111.942 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -56.47 -25.33 50.57 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.296 1.039 . . . . 0.0 113.282 -175.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -50.91 -32.5 20.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.632 1.173 . . . . 0.0 113.976 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt -66.49 -28.46 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.669 1.122 . . . . 0.0 112.69 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -94.59 -37.66 11.24 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.355 1.462 . . . . 0.0 112.51 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.7 p -92.8 -26.51 17.66 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -169.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -76.54 132.54 39.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.423 1.01 . . . . 0.0 110.679 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.22 -16.05 61.42 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.239 1.199 . . . . 0.0 114.239 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.87 132.22 95.17 Favored Pre-proline 0 N--CA 1.475 0.791 0 C-N-CA 123.657 0.783 . . . . 0.0 110.94 173.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.22 -38.74 1.92 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.528 2.152 . . . . 0.0 113.951 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -100.12 82.88 2.6 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.346 0.658 . . . . 0.0 111.896 -168.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -74.25 146.03 43.58 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.657 -0.652 . . . . 0.0 111.065 171.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.72 134.5 95.31 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.286 1.034 . . . . 0.0 110.51 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -71.78 -9.82 25.45 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.156 2.571 . . . . 0.0 112.92 173.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -120.02 -22.02 6.86 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.7 p -146.2 -170.25 3.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 120.837 1.653 . . . . 0.0 113.375 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -75.23 0.96 14.74 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.488 1.515 . . . . 0.0 114.193 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -66.96 150.84 48.67 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.91 1.684 . . . . 0.0 113.104 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.22 150.82 36.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.343 1.057 . . . . 0.0 113.443 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 t -133.15 155.02 50.07 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.287 1.835 . . . . 0.0 112.597 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.35 -1.95 43.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.94 1.296 . . . . 0.0 112.74 168.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mt -135.57 129.45 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.76 1.624 . . . . 0.0 109.912 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -65.96 -33.98 77.07 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.465 0.706 . . . . 0.0 112.534 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.1 96.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.911 0.884 . . . . 0.0 112.399 172.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -67.26 -35.42 79.49 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.189 -0.945 . . . . 0.0 111.762 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.08 -33.93 77.2 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.488 -0.757 . . . . 0.0 112.18 171.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -65.47 -39.44 91.96 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 120.019 1.281 . . . . 0.0 112.486 171.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.55 -23.24 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 124.722 1.209 . . . . 0.0 112.205 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -83.49 -44.8 14.32 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.148 0.979 . . . . 0.0 113.347 169.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.55 -32.05 72.94 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.343 -1.473 . . . . 0.0 113.226 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -62.56 -13.28 29.27 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 172.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -81.63 -26.19 35.02 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.944 1.298 . . . . 0.0 112.876 170.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -84.69 -36.23 22.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.493 1.117 . . . . 0.0 113.408 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.7 t -69.19 161.73 28.56 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -172.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.7 -46.45 0.1 OUTLIER Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.882 1.23 . . . . 0.0 112.971 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -74.43 139.93 44.31 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 122.302 1.049 . . . . 0.0 111.303 173.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -153.28 165.6 35.23 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.049 1.739 . . . . 0.0 112.971 -169.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -120.84 147.96 44.67 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.139 2.175 . . . . 0.0 110.003 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.24 144.37 50.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.169 0.987 . . . . 0.0 113.308 -170.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.3 t -69.87 145.5 51.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.485 1.514 . . . . 0.0 112.69 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -91.6 -10.2 41.36 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.155 1.382 . . . . 0.0 112.504 176.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -117.38 -22.1 8.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.315 1.446 . . . . 0.0 113.662 -171.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 p -145.24 -171.63 3.7 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.755 1.622 . . . . 0.0 112.238 174.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 m -82.25 0.93 39.05 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.24 1.416 . . . . 0.0 114.586 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -63.42 144.17 57.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.536 1.135 . . . . 0.0 114.058 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.8 p -135.87 149.01 48.86 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.595 1.558 . . . . 0.0 112.058 171.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.9 p -146.45 173.11 12.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.549 1.54 . . . . 0.0 112.101 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 72.8 mt -100.93 11.59 39.3 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -173.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.1 t -147.85 140.37 24.54 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.547 1.139 . . . . 0.0 112.334 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.76 -29.88 71.04 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.872 0.869 . . . . 0.0 112.197 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.09 -42.67 91.78 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 123.833 0.73 . . . . 0.0 112.222 171.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.89 -35.18 80.32 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.728 -0.866 . . . . 0.0 111.632 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.06 -45.59 80.8 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.506 0.722 . . . . 0.0 111.53 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.5 -47.16 82.68 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.436 0.695 . . . . 0.0 111.071 175.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 67.9 t -61.53 -44.85 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.697 0.799 . . . . 0.0 111.496 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -57.12 -47.86 80.06 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.329 0.968 . . . . 0.0 111.672 175.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.64 -47.16 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.612 -0.68 . . . . 0.0 110.846 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -57.77 -46.6 84.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.021 0.928 . . . . 0.0 112.698 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -78.1 -35.7 48.98 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 t -102.25 -34.55 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -169.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -122.47 -30.25 3.97 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 -169.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -70.24 -21.0 63.03 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.383 1.073 . . . . 0.0 113.582 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -133.53 145.95 50.6 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.102 2.161 . . . . 0.0 109.446 169.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.3 pt -63.96 150.06 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 124.572 1.149 . . . . 0.0 112.692 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.413 ' HA ' ' HE2' ' A' ' 92' ' ' LYS . 11.5 mmpt? . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.839 2.055 . . . . 0.0 111.967 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.2 m -133.79 136.6 44.61 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.732 0.813 . . . . 0.0 112.142 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.12 134.05 45.55 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.402 1.481 . . . . 0.0 111.687 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -85.38 -7.92 58.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -104.77 -30.48 9.87 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -135.31 5.22 3.23 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 59.83 15.95 5.27 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.553 1.941 . . . . 0.0 115.596 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -64.67 151.04 45.97 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.055 -1.028 . . . . 0.0 112.06 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.52 137.37 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.543 1.537 . . . . 0.0 110.926 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -134.57 146.08 49.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.417 1.887 . . . . 0.0 111.604 -172.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -77.04 -25.46 52.54 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.502 1.121 . . . . 0.0 113.576 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -137.35 152.59 49.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.324 1.45 . . . . 0.0 112.051 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -64.11 -34.91 79.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.552 0.741 . . . . 0.0 112.81 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -65.34 -32.85 74.71 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.637 0.653 . . . . 0.0 112.739 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 m -68.2 -40.64 82.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.443 0.697 . . . . 0.0 111.64 173.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.92 -44.04 86.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.018 0.527 . . . . 0.0 111.767 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -60.68 -39.66 89.27 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.157 -0.965 . . . . 0.0 112.613 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.1 67.79 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -66.58 -42.69 86.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.652 0.781 . . . . 0.0 112.301 173.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.4 mt -57.88 -19.8 32.0 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.507 1.123 . . . . 0.0 113.856 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -56.12 -29.36 60.55 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.786 1.235 . . . . 0.0 113.521 174.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 pt . . . . . 0 N--CA 1.475 0.818 0 CA-C-N 119.269 0.94 . . . . 0.0 112.662 177.677 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 CA--C 1.535 0.535 0 N-CA-C 115.17 1.181 . . . . 0.0 115.17 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -93.08 87.12 5.61 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.598 0.759 . . . . 0.0 111.108 -171.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -92.33 140.96 29.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.296 1.438 . . . . 0.0 111.963 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.13 134.3 87.43 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 124.425 1.09 . . . . 0.0 110.719 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.06 -13.83 17.1 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.161 2.574 . . . . 0.0 112.45 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -102.78 -31.0 10.52 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -143.06 -176.23 4.83 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.755 1.161 . . . . 0.0 113.086 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -71.65 -0.66 11.35 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.106 1.362 . . . . 0.0 114.503 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.78 143.76 57.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.907 1.683 . . . . 0.0 113.645 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.15 154.8 43.54 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.532 1.133 . . . . 0.0 113.229 170.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -138.1 157.41 46.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.55 1.94 . . . . 0.0 112.233 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.21 -2.44 56.51 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.768 1.227 . . . . 0.0 113.451 169.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.7 mt -136.42 132.4 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.457 1.503 . . . . 0.0 110.608 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -66.07 -37.1 84.97 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.158 0.983 . . . . 0.0 112.669 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.48 -39.91 94.68 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.778 0.831 . . . . 0.0 112.118 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -68.77 -32.28 71.91 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.327 -0.858 . . . . 0.0 111.854 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.42 -37.51 87.15 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.242 -0.911 . . . . 0.0 111.671 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -64.13 -39.3 93.73 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.953 1.252 . . . . 0.0 112.521 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.38 -25.82 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.782 1.233 . . . . 0.0 112.215 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -80.56 -45.76 16.86 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.12 -36.21 76.97 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.782 -1.199 . . . . 0.0 112.708 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.61 -20.95 62.08 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -73.18 -28.32 62.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.106 0.962 . . . . 0.0 112.687 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 . . . . . 0 CA--C 1.547 0.843 0 C-N-CA 124.046 0.938 . . . . 0.0 113.519 172.825 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 CA--C 1.537 0.443 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.05 141.06 48.52 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.364 1.066 . . . . 0.0 112.938 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 36.3 t -65.69 145.54 55.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.103 1.361 . . . . 0.0 112.668 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -88.38 -10.51 49.09 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.797 1.239 . . . . 0.0 112.519 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -117.61 -22.4 8.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.24 1.416 . . . . 0.0 113.656 -171.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.8 p -146.19 -170.76 3.57 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.803 1.641 . . . . 0.0 112.196 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 m -83.68 1.77 40.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.274 1.43 . . . . 0.0 114.548 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -63.54 144.79 56.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.627 1.171 . . . . 0.0 114.06 -174.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 p -135.02 146.09 48.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.685 1.594 . . . . 0.0 111.92 170.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.8 p -145.4 172.01 13.79 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.924 1.29 . . . . 0.0 111.408 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tp -94.65 13.26 24.86 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -171.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -149.79 136.36 19.21 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.891 1.277 . . . . 0.0 112.106 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -62.87 -27.86 69.64 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 171.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.95 -44.21 69.13 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.873 0.749 . . . . 0.0 111.885 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -64.07 -36.0 82.59 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.93 -0.747 . . . . 0.0 111.39 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.75 -42.54 90.82 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.526 -0.734 . . . . 0.0 112.225 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -59.08 -40.2 84.49 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.661 -0.649 . . . . 0.0 111.325 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.46 -30.35 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.711 1.204 . . . . 0.0 112.43 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -64.92 -48.05 75.54 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.419 -1.426 . . . . 0.0 110.599 168.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.77 -46.52 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.789 0.836 . . . . 0.0 110.775 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -63.38 -27.72 69.5 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -92.19 -40.13 11.17 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.0 t -97.48 -34.37 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.023 0.929 . . . . 0.0 112.779 -169.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.715 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 119.916 -0.088 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -135.0 134.59 40.64 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.459 0.704 . . . . 0.0 111.972 -170.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.5 t -74.96 127.57 33.54 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.206 1.403 . . . . 0.0 111.123 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.24 -8.49 59.76 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -102.91 -31.29 10.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.365 1.066 . . . . 0.0 113.747 -174.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 p -133.9 8.96 3.84 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 58.49 20.93 7.98 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.332 1.853 . . . . 0.0 115.55 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -73.31 151.31 41.36 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.637 1.175 . . . . 0.0 111.842 172.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.5 t -119.58 138.19 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.171 1.388 . . . . 0.0 110.764 -177.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -134.99 149.48 50.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.965 2.106 . . . . 0.0 111.114 -173.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -80.11 -27.39 39.2 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -176.238 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -131.9 154.62 49.03 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.031 0.932 . . . . 0.0 113.04 -173.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -60.32 -41.95 94.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.431 1.093 . . . . 0.0 111.974 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -66.37 -32.75 74.34 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.46 0.704 . . . . 0.0 112.793 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -65.77 -45.82 81.06 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.637 0.775 . . . . 0.0 111.414 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.86 -44.1 86.42 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 122.056 -0.403 . . . . 0.0 111.946 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -61.21 -39.37 89.98 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.537 1.062 . . . . 0.0 112.779 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.45 63.66 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -67.9 -43.73 78.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.325 0.65 . . . . 0.0 111.979 170.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.06 -21.43 45.6 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.899 1.279 . . . . 0.0 113.925 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -52.38 -28.11 18.35 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 pt . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 177.782 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 CA--C 1.536 0.617 0 N-CA-C 114.931 1.089 . . . . 0.0 114.931 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -87.41 77.01 8.96 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.779 0.8 . . . . 0.0 111.211 -171.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.28 143.59 33.53 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.77 1.628 . . . . 0.0 112.035 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.5 t -72.51 136.33 81.05 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 124.409 1.084 . . . . 0.0 111.245 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.44 -9.64 21.67 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.482 2.788 . . . . 0.0 113.093 172.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -116.8 -25.68 7.22 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -145.45 -174.46 4.4 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.386 1.448 . . . . 0.0 113.445 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -72.82 -1.21 15.79 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.313 1.445 . . . . 0.0 114.508 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.92 140.92 56.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.32 1.448 . . . . 0.0 112.983 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.08 150.23 35.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.824 1.25 . . . . 0.0 111.99 169.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -138.16 161.55 36.52 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.648 1.179 . . . . 0.0 113.446 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.7 -4.94 58.41 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.914 1.285 . . . . 0.0 112.854 169.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.0 mt -128.91 128.86 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.159 1.384 . . . . 0.0 110.71 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.78 -38.09 85.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.174 0.99 . . . . 0.0 113.065 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.13 67.86 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.629 0.772 . . . . 0.0 112.943 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -70.71 -41.68 71.59 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.146 -0.971 . . . . 0.0 110.533 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.77 -38.43 85.24 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.636 -0.665 . . . . 0.0 111.787 169.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -60.34 -43.22 96.67 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.053 0.842 . . . . 0.0 112.092 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.52 -36.09 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.643 0.777 . . . . 0.0 111.754 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -63.93 -43.05 97.03 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.453 -0.779 . . . . 0.0 112.883 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.23 -33.17 71.89 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.054 -1.029 . . . . 0.0 112.672 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 -62.5 -20.35 64.51 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.979 0.912 . . . . 0.0 113.396 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -77.73 -23.36 49.4 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.571 1.148 . . . . 0.0 113.466 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -179.137 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 CA--C 1.54 0.581 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.89 141.89 48.63 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.013 0.925 . . . . 0.0 112.91 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.9 t -66.32 145.34 55.84 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.858 1.263 . . . . 0.0 112.057 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -87.87 -9.76 52.77 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.583 1.153 . . . . 0.0 112.659 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -120.96 -19.8 7.1 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.034 1.334 . . . . 0.0 114.13 -170.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.73 -173.8 4.31 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.304 1.442 . . . . 0.0 112.445 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 m -79.41 0.72 28.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.338 1.455 . . . . 0.0 114.632 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.98 143.15 58.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.43 1.092 . . . . 0.0 113.513 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -130.52 152.51 49.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.069 1.348 . . . . 0.0 111.765 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 t -139.78 159.09 42.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.238 1.415 . . . . 0.0 112.084 -171.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.8 mt -90.96 -4.42 56.49 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.921 1.288 . . . . 0.0 113.387 174.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.3 t -144.29 134.19 23.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.229 1.412 . . . . 0.0 111.998 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -64.92 -26.32 68.26 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.785 0.834 . . . . 0.0 113.179 171.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.22 -47.17 54.32 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.87 0.747 . . . . 0.0 112.132 174.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -70.78 -30.05 66.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.556 -0.967 . . . . 0.0 112.196 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.71 -38.77 92.12 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.11 -0.994 . . . . 0.0 112.092 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.92 -42.72 99.42 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.376 -0.828 . . . . 0.0 111.163 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.0 -41.07 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.003 0.82 . . . . 0.0 111.724 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -58.52 -49.51 77.13 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.136 0.88 . . . . 0.0 111.84 171.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.8 -47.92 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.106 -0.997 . . . . 0.0 111.433 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -67.95 -21.34 65.1 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -102.26 -34.52 9.2 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.73 -40.23 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.283 1.033 . . . . 0.0 112.154 -172.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 N--CA 1.473 0.703 0 C-N-CA 123.7 0.8 . . . . 0.0 112.846 -177.434 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 CA--C 1.539 0.555 0 CA-C-O 120.039 -0.029 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -136.14 135.73 39.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.705 0.802 . . . . 0.0 111.988 -171.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.5 t -71.12 133.11 45.98 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.2 1.4 . . . . 0.0 111.759 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -84.26 -9.17 58.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -105.21 -31.19 9.23 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.424 1.09 . . . . 0.0 113.767 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -134.5 7.15 3.56 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 m120 59.74 14.69 4.25 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.435 1.894 . . . . 0.0 115.968 174.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -65.69 151.53 46.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.557 1.143 . . . . 0.0 111.926 171.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.15 137.02 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.36 1.464 . . . . 0.0 110.881 -174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -135.53 148.19 49.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.465 1.906 . . . . 0.0 111.721 -172.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -77.11 -28.75 54.51 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -135.14 157.39 47.05 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.478 1.111 . . . . 0.0 113.024 -174.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -59.48 -42.12 91.35 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.818 1.247 . . . . 0.0 112.131 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -67.46 -32.89 74.05 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.405 0.682 . . . . 0.0 112.768 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 m -65.36 -45.76 82.86 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.619 0.768 . . . . 0.0 111.45 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.07 -45.58 84.74 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 122.082 -0.386 . . . . 0.0 111.779 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -60.35 -38.69 84.64 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.01 -1.056 . . . . 0.0 112.878 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.93 -29.72 63.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -68.8 -43.7 75.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.796 0.838 . . . . 0.0 112.264 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.6 mt -57.79 -19.07 25.63 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.592 1.157 . . . . 0.0 113.649 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -57.03 -21.25 29.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.827 1.251 . . . . 0.0 114.361 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 pt . . . . . 0 N--CA 1.476 0.852 0 CA-C-N 119.788 1.177 . . . . 0.0 113.436 176.246 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.533 0.46 0 N-CA-C 114.801 1.039 . . . . 0.0 114.801 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -84.8 90.48 7.76 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.876 0.87 . . . . 0.0 110.849 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.39 141.55 31.14 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.319 1.448 . . . . 0.0 112.397 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.9 t -72.19 132.82 83.98 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.439 1.096 . . . . 0.0 111.042 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -78.92 -8.09 15.53 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.428 2.752 . . . . 0.0 112.975 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -110.27 -29.82 7.98 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 p -145.87 179.76 7.24 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.062 1.301 . . . . 0.0 113.314 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -75.56 42.05 0.21 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.334 1.854 . . . . 0.0 113.64 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -110.33 141.91 42.71 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.625 1.97 . . . . 0.0 112.587 -176.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.34 154.65 41.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.256 1.022 . . . . 0.0 112.525 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 t -143.22 167.52 21.93 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.843 1.657 . . . . 0.0 112.825 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.96 0.91 44.95 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.683 1.593 . . . . 0.0 113.481 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.3 mt -133.5 130.93 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.612 1.165 . . . . 0.0 111.148 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -64.55 -41.17 96.5 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.577 1.151 . . . . 0.0 113.006 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.25 83.39 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.741 0.817 . . . . 0.0 112.438 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -66.79 -40.31 88.09 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.522 -0.736 . . . . 0.0 111.63 173.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.2 -35.78 81.91 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.819 0.736 . . . . 0.0 112.167 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -62.45 -43.27 99.21 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.568 1.076 . . . . 0.0 112.118 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.98 -32.6 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 121.394 -0.816 . . . . 0.0 111.897 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -69.16 -41.73 76.85 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.415 -0.803 . . . . 0.0 112.897 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.41 -31.56 72.75 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.544 -1.348 . . . . 0.0 112.309 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -63.04 -11.68 21.03 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 170.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -83.32 -22.32 32.95 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.861 1.264 . . . . 0.0 113.323 169.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 N--CA 1.472 0.646 0 C-N-CA 124.541 1.137 . . . . 0.0 113.912 -176.868 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.34 143.05 50.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.35 1.06 . . . . 0.0 112.897 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 39.5 t -65.01 143.5 57.9 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.1 1.36 . . . . 0.0 112.104 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -87.16 -9.4 55.34 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.575 1.15 . . . . 0.0 112.58 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -119.66 -21.42 7.31 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.135 1.374 . . . . 0.0 113.772 -170.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.76 -168.19 2.91 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.57 1.548 . . . . 0.0 112.255 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.9 p -85.04 -0.03 53.08 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.704 1.602 . . . . 0.0 114.808 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -62.85 145.63 54.6 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.575 1.15 . . . . 0.0 113.792 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.4 p -135.42 152.64 51.59 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.606 1.562 . . . . 0.0 111.882 173.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.6 t -145.24 156.28 43.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.498 1.119 . . . . 0.0 111.74 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.65 -9.12 59.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.375 1.07 . . . . 0.0 112.877 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.5 m -129.33 125.57 37.0 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.326 1.45 . . . . 0.0 111.946 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.85 -31.02 70.56 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.999 0.92 . . . . 0.0 113.002 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.51 -42.08 97.65 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.721 0.676 . . . . 0.0 112.818 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -68.87 -34.87 76.17 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.534 -0.98 . . . . 0.0 111.772 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.0 tp -63.04 -40.5 97.91 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.281 -0.887 . . . . 0.0 112.021 170.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -62.72 -40.91 98.66 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.175 -0.953 . . . . 0.0 111.382 173.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.87 -41.59 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.478 0.711 . . . . 0.0 111.815 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -57.8 -44.42 86.31 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.365 0.984 . . . . 0.0 111.721 171.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.68 -45.58 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 O-C-N 121.372 -0.83 . . . . 0.0 111.245 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -64.68 -34.17 77.68 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -85.76 -37.3 19.46 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.6 t -102.01 -34.85 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.114 0.966 . . . . 0.0 112.587 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -170.328 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 120.015 -0.041 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -136.31 135.51 38.98 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.684 0.793 . . . . 0.0 111.756 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.6 t -73.21 128.52 35.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.214 1.406 . . . . 0.0 111.28 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.34 -7.84 59.64 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -104.48 -31.81 9.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.39 1.076 . . . . 0.0 113.827 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.7 8.19 3.85 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.0 t30 58.4 20.18 7.13 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.443 1.897 . . . . 0.0 115.592 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -71.21 151.2 44.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.529 1.132 . . . . 0.0 111.794 171.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.65 137.5 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.287 1.435 . . . . 0.0 110.793 -175.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -135.67 148.57 48.98 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.452 1.901 . . . . 0.0 111.726 -172.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -77.49 -29.19 52.48 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -175.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -134.57 157.54 46.29 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.593 1.157 . . . . 0.0 113.08 -173.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -60.12 -42.46 94.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.564 1.145 . . . . 0.0 111.982 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -66.32 -32.11 73.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.419 0.688 . . . . 0.0 112.752 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.5 m -66.14 -45.88 79.46 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.659 0.784 . . . . 0.0 111.495 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.84 -42.7 90.17 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 122.011 -0.431 . . . . 0.0 112.014 173.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -61.6 -39.03 89.78 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.129 -0.982 . . . . 0.0 112.817 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.99 -32.79 67.57 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.681 -0.637 . . . . 0.0 112.685 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -67.11 -41.77 85.67 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.513 0.725 . . . . 0.0 112.551 171.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.8 mt -59.66 -15.68 21.05 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.942 1.297 . . . . 0.0 114.068 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -56.21 -22.52 29.8 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.938 1.295 . . . . 0.0 113.939 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 pt . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 176.009 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 CA--C 1.532 0.419 0 N-CA-C 115.788 1.418 . . . . 0.0 115.788 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -83.57 82.04 8.48 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.354 0.661 . . . . 0.0 111.4 -172.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.92 141.87 45.97 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.862 1.265 . . . . 0.0 111.731 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -72.06 135.81 82.43 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 124.798 1.239 . . . . 0.0 110.796 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.25 -9.34 17.67 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.618 2.879 . . . . 0.0 112.97 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -111.19 -27.95 8.48 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.3 p -141.45 -176.77 4.85 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 120.183 1.356 . . . . 0.0 112.833 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 p -73.1 0.46 11.48 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.04 143.93 57.34 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.642 1.577 . . . . 0.0 113.371 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.85 151.59 38.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.781 1.233 . . . . 0.0 111.858 169.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 t -132.84 161.91 32.93 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.219 1.408 . . . . 0.0 113.312 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.4 -4.75 56.83 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.071 1.348 . . . . 0.0 113.49 170.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.7 mt -132.23 129.69 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.49 1.116 . . . . 0.0 110.659 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -66.94 -38.21 85.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.917 0.887 . . . . 0.0 112.576 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.95 -31.45 72.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.116 0.966 . . . . 0.0 112.957 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.12 -41.46 73.9 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.369 -0.832 . . . . 0.0 111.445 172.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.5 -37.19 82.78 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.833 0.742 . . . . 0.0 111.927 171.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.0 -32.35 70.78 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.987 0.915 . . . . 0.0 112.539 175.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.9 t -84.4 -31.32 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.58 1.152 . . . . 0.0 112.198 173.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -65.3 -38.93 91.71 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.824 -1.172 . . . . 0.0 112.518 172.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.27 -30.5 71.16 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.805 -1.184 . . . . 0.0 112.681 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -65.59 -9.89 30.7 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 172.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -83.4 -19.62 35.69 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.73 1.212 . . . . 0.0 112.574 168.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 126.239 1.816 . . . . 0.0 114.138 -178.399 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.95 142.85 50.36 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -170.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.1 t -67.05 143.44 56.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.15 1.38 . . . . 0.0 112.19 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -88.39 -9.5 52.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.671 1.188 . . . . 0.0 112.502 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -118.88 -20.44 8.17 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.147 1.379 . . . . 0.0 113.872 -169.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.6 p -148.25 -169.33 3.32 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.565 1.546 . . . . 0.0 112.232 174.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -82.5 0.74 41.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.434 1.494 . . . . 0.0 114.701 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -62.8 143.44 57.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.255 1.022 . . . . 0.0 113.742 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.1 p -138.01 150.8 47.29 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.23 1.412 . . . . 0.0 111.783 169.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.8 t -145.36 164.26 32.03 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.354 1.062 . . . . 0.0 111.96 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.55 5.58 34.89 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.048 1.339 . . . . 0.0 114.236 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 p -140.71 147.93 39.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.814 0.846 . . . . 0.0 112.968 170.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.75 -30.7 69.37 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.171 0.988 . . . . 0.0 112.003 174.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.09 -46.64 90.66 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.155 0.883 . . . . 0.0 112.828 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -67.63 -33.72 75.54 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.183 0.992 . . . . 0.0 111.588 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.3 tp -66.23 -41.16 90.45 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.454 -0.779 . . . . 0.0 112.178 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.87 -44.62 94.07 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.511 0.724 . . . . 0.0 111.117 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.8 t -61.82 -44.46 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 118.835 -0.602 . . . . 0.0 111.296 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -56.29 -48.29 76.92 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.568 1.076 . . . . 0.0 111.826 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.55 -45.94 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 121.421 -0.8 . . . . 0.0 111.267 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -71.39 -25.16 62.23 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -95.63 -33.96 12.17 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.74 -39.98 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.921 0.888 . . . . 0.0 112.375 -174.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -171.649 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.7 m -130.61 136.41 48.84 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.699 0.8 . . . . 0.0 112.408 -169.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -71.05 130.6 41.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.26 1.424 . . . . 0.0 111.598 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.69 -7.63 59.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -106.62 -31.72 8.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.48 1.112 . . . . 0.0 113.884 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 p -133.05 6.57 3.92 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.7 15.5 4.78 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.374 1.87 . . . . 0.0 115.803 175.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -64.01 148.34 49.92 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.445 1.098 . . . . 0.0 111.762 170.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.8 t -118.25 136.11 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.343 1.457 . . . . 0.0 110.718 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -132.62 145.2 50.9 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.519 1.928 . . . . 0.0 110.997 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -79.56 -17.91 52.92 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -138.85 148.4 43.66 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.239 1.416 . . . . 0.0 111.725 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -65.3 -36.85 85.33 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -63.33 -33.24 75.1 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 m -67.15 -41.16 86.5 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.574 0.749 . . . . 0.0 111.553 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -67.06 -44.39 80.24 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 122.071 -0.393 . . . . 0.0 111.81 173.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -58.79 -41.91 87.8 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.225 0.92 . . . . 0.0 112.239 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.12 -30.69 63.81 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -68.17 -44.44 75.93 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.326 0.65 . . . . 0.0 111.9 172.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.93 -23.35 53.06 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.6 1.16 . . . . 0.0 113.749 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -50.64 -34.49 26.46 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.173 0.989 . . . . 0.0 113.597 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -179.548 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 CA--C 1.534 0.481 0 N-CA-C 114.632 0.974 . . . . 0.0 114.632 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.79 90.73 6.66 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.304 0.642 . . . . 0.0 110.787 -172.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -96.91 137.6 35.75 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.218 1.407 . . . . 0.0 112.61 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -74.97 126.67 87.97 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 126.182 1.793 . . . . 0.0 110.596 173.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.57 -6.89 17.4 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.042 2.495 . . . . 0.0 113.103 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -111.81 -22.17 11.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -170.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.5 p -140.18 10.4 2.34 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m 60.34 14.55 4.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.805 1.642 . . . . 0.0 115.324 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.6 152.61 21.78 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.074 1.75 . . . . 0.0 110.419 168.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.18 150.36 40.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.1 t -139.22 159.72 41.49 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.529 1.532 . . . . 0.0 113.035 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.09 -3.86 58.52 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.316 1.447 . . . . 0.0 113.44 170.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.5 mt -126.86 129.15 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.954 1.302 . . . . 0.0 110.646 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -65.57 -43.03 91.05 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.143 0.977 . . . . 0.0 112.665 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.15 72.09 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.892 0.877 . . . . 0.0 112.832 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -66.93 -41.91 86.2 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.234 -0.916 . . . . 0.0 111.423 173.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.89 -38.31 90.62 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.747 0.703 . . . . 0.0 111.644 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.8 -37.38 78.95 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.739 0.816 . . . . 0.0 112.353 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -77.07 -35.66 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.19 0.996 . . . . 0.0 111.971 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -63.4 -39.28 94.08 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.997 -1.064 . . . . 0.0 113.117 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.7 mt -62.94 -28.89 70.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.938 -1.101 . . . . 0.0 112.815 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -61.99 -17.92 58.75 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 171.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -75.96 -24.55 55.45 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.352 0.978 . . . . 0.0 112.63 171.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 CA--C 1.542 0.638 0 C-N-CA 125.239 1.415 . . . . 0.0 112.119 178.894 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.73 141.91 51.28 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.005 0.82 . . . . 0.0 113.076 -172.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.24 145.43 56.01 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.206 1.403 . . . . 0.0 112.341 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -86.83 -9.62 55.37 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.601 1.16 . . . . 0.0 112.634 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -121.9 -21.98 5.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.935 1.294 . . . . 0.0 114.15 -171.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.0 p -143.14 -171.7 3.53 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.262 1.425 . . . . 0.0 112.461 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.1 p -82.87 1.26 40.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.689 1.596 . . . . 0.0 114.729 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -62.62 139.86 58.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.499 1.12 . . . . 0.0 113.637 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -123.22 148.09 46.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.929 1.691 . . . . 0.0 111.614 170.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.4 t -136.51 153.99 50.86 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.304 1.442 . . . . 0.0 112.07 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.59 -7.47 59.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.268 1.427 . . . . 0.0 112.923 174.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -142.13 133.67 26.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.209 1.404 . . . . 0.0 112.114 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -65.29 -27.39 68.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.002 0.921 . . . . 0.0 112.989 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.32 -46.89 46.92 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.019 0.819 . . . . 0.0 112.049 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -69.78 -30.21 67.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.814 -0.815 . . . . 0.0 112.121 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.45 -39.48 93.89 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.262 -0.898 . . . . 0.0 112.285 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.63 -40.7 95.8 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.34 -0.85 . . . . 0.0 111.394 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 90.1 t -62.74 -43.34 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.617 0.767 . . . . 0.0 111.687 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -57.17 -47.99 79.84 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.094 0.861 . . . . 0.0 111.608 172.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.21 -50.97 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 121.612 -0.68 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -59.55 -39.81 85.2 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.989 0.915 . . . . 0.0 113.038 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -85.3 -36.54 20.78 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.5 t -95.45 -35.62 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.563 0.745 . . . . 0.0 112.452 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -170.426 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.4 m -129.17 135.61 49.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.441 0.696 . . . . 0.0 112.547 -169.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -73.53 128.76 36.38 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.24 1.416 . . . . 0.0 111.245 174.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.09 -8.81 59.58 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -103.97 -31.22 9.83 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -174.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.91 3.35 3.47 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 60.9 17.73 8.09 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.286 1.834 . . . . 0.0 115.698 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -63.45 149.41 46.1 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.04 -1.038 . . . . 0.0 111.273 168.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -123.6 138.64 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.135 1.374 . . . . 0.0 111.102 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -134.62 151.06 50.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.172 2.189 . . . . 0.0 110.976 -172.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -80.13 -27.73 39.05 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.298 1.039 . . . . 0.0 113.4 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -129.06 150.9 50.27 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.721 1.208 . . . . 0.0 112.642 -173.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.95 -41.18 97.69 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.341 1.057 . . . . 0.0 112.38 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -64.14 -33.61 76.17 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 m -66.91 -42.65 85.08 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.505 0.722 . . . . 0.0 111.721 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.4 tp -67.51 -44.32 78.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.658 0.383 . . . . 0.0 111.659 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -59.65 -40.46 87.78 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.171 0.896 . . . . 0.0 112.504 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.99 -31.89 64.8 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.29 -43.62 81.27 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.74 -0.6 . . . . 0.0 112.084 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.1 mt -59.27 -22.03 60.52 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.501 1.12 . . . . 0.0 113.934 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -52.0 -29.6 21.49 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.728 1.211 . . . . 0.0 113.985 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 pt . . . . . 0 N--CA 1.471 0.591 0 CA-C-N 118.467 0.576 . . . . 0.0 111.766 178.758 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo . . . . . 0 CA--C 1.531 0.366 0 N-CA-C 114.823 1.047 . . . . 0.0 114.823 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -83.81 74.82 10.15 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.951 0.881 . . . . 0.0 111.345 -173.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -77.4 143.11 38.9 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.728 2.011 . . . . 0.0 111.673 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.0 t -73.14 136.17 79.39 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.36 1.064 . . . . 0.0 111.103 173.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.23 -9.22 21.7 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.385 2.723 . . . . 0.0 113.145 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -118.72 -23.76 6.92 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.6 p -145.03 -172.27 3.81 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 120.435 1.471 . . . . 0.0 112.967 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.1 p -73.94 -4.48 35.42 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -55.8 139.63 44.83 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.0 1.32 . . . . 0.0 113.173 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.15 151.31 36.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.184 1.394 . . . . 0.0 111.279 168.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t -145.45 172.59 12.98 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.239 1.015 . . . . 0.0 113.247 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.49 0.1 44.46 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.131 1.772 . . . . 0.0 113.692 175.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.3 mt -129.98 128.9 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.074 1.35 . . . . 0.0 110.317 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -66.86 -37.74 85.02 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.372 1.069 . . . . 0.0 112.99 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.89 74.4 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.471 0.708 . . . . 0.0 112.472 173.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -69.61 -39.37 77.25 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.36 -0.837 . . . . 0.0 111.302 175.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.29 -38.13 85.67 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.741 -0.599 . . . . 0.0 112.105 170.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -63.28 -44.12 95.97 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.662 1.119 . . . . 0.0 112.09 173.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.17 -23.98 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.675 1.19 . . . . 0.0 112.523 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -78.18 -43.83 27.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.48 1.112 . . . . 0.0 113.193 169.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.04 -31.2 70.84 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.746 -1.221 . . . . 0.0 112.401 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 mtp-105 -58.62 -15.53 12.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.789 1.236 . . . . 0.0 114.248 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -91.98 -14.21 29.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.682 1.593 . . . . 0.0 113.823 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 124.572 1.149 . . . . 0.0 111.815 173.869 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.72 141.45 47.24 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.396 1.078 . . . . 0.0 113.855 -169.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 t -68.59 143.62 54.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.09 1.356 . . . . 0.0 112.19 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.41 -8.47 50.52 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.749 1.22 . . . . 0.0 112.423 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -117.37 -22.13 8.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.254 1.422 . . . . 0.0 113.461 -169.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -146.12 -168.16 2.92 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.923 1.689 . . . . 0.0 112.236 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.9 p -84.61 1.07 47.8 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.8 1.64 . . . . 0.0 114.897 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.66 138.74 58.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.299 1.04 . . . . 0.0 113.42 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.1 p -139.55 142.63 37.19 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.201 1.4 . . . . 0.0 111.127 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.4 t -141.38 159.0 43.13 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.13 0.972 . . . . 0.0 113.009 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.55 -12.1 60.38 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.961 1.304 . . . . 0.0 113.164 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.3 t -125.24 131.92 53.04 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.141 1.376 . . . . 0.0 112.423 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -69.01 -30.69 69.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.727 1.211 . . . . 0.0 112.038 172.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.64 -43.37 85.57 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 123.879 0.752 . . . . 0.0 112.179 172.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.44 -35.51 81.17 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.684 -0.892 . . . . 0.0 111.51 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.02 -43.68 91.64 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.415 -0.803 . . . . 0.0 111.898 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -59.13 -42.54 90.86 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.659 -0.65 . . . . 0.0 111.328 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.73 -42.29 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.329 1.052 . . . . 0.0 111.854 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -57.28 -46.96 82.6 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.112 0.869 . . . . 0.0 111.434 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.82 -48.07 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 121.477 -0.764 . . . . 0.0 110.682 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -59.84 -33.49 71.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.552 1.141 . . . . 0.0 113.927 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -96.02 -35.76 11.27 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -174.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.5 t -97.07 -37.1 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.991 0.916 . . . . 0.0 112.431 -171.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.473 0.71 0 C-N-CA 123.701 0.8 . . . . 0.0 113.127 -173.79 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.1 m -136.03 137.83 41.57 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.693 0.797 . . . . 0.0 112.384 -169.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.5 t -69.01 133.71 48.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.722 1.609 . . . . 0.0 111.942 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.43 -9.25 58.56 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.48 -31.11 9.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.414 1.086 . . . . 0.0 113.868 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -136.19 3.65 2.89 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.13 15.77 6.58 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -62.92 146.42 52.98 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.945 -1.097 . . . . 0.0 111.6 169.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -115.72 137.73 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.574 1.55 . . . . 0.0 110.927 -172.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -134.76 149.26 50.4 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.326 1.85 . . . . 0.0 111.895 -172.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -71.94 -29.35 64.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.433 1.093 . . . . 0.0 113.622 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -140.38 152.75 46.01 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.686 1.194 . . . . 0.0 111.982 -169.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -66.69 -35.92 81.29 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -66.54 -35.49 80.36 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.693 0.679 . . . . 0.0 112.212 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 m -64.09 -42.23 97.01 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.503 0.721 . . . . 0.0 111.798 173.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.41 -44.73 86.52 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.898 -0.501 . . . . 0.0 111.969 172.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -58.49 -39.66 80.61 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.949 -1.094 . . . . 0.0 112.396 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.33 -30.22 65.94 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -69.73 -44.31 70.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.494 0.717 . . . . 0.0 112.053 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.58 -18.38 29.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.888 1.275 . . . . 0.0 113.654 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -52.96 -33.76 52.56 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.968 0.907 . . . . 0.0 113.318 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 pt . . . . . 0 N--CA 1.477 0.877 0 CA-C-N 119.595 1.089 . . . . 0.0 113.107 179.623 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo . . . . . 0 CA--C 1.535 0.556 0 N-CA-C 115.488 1.303 . . . . 0.0 115.488 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -88.62 79.94 7.43 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.967 0.889 . . . . 0.0 111.072 -172.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -84.32 143.7 29.34 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.304 1.842 . . . . 0.0 111.787 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.98 135.62 80.22 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 124.31 1.044 . . . . 0.0 111.417 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -74.87 -13.02 21.82 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.408 2.739 . . . . 0.0 112.657 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -111.02 -27.32 8.82 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -173.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -143.24 -174.35 4.18 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 120.819 1.645 . . . . 0.0 113.242 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.2 p -73.16 -2.32 21.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.229 1.412 . . . . 0.0 114.404 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -61.02 140.79 57.75 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.521 1.528 . . . . 0.0 113.373 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.36 150.85 35.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.96 1.304 . . . . 0.0 111.473 168.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.5 t -137.34 160.33 39.38 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.43 1.092 . . . . 0.0 112.412 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.09 -4.94 58.88 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.085 0.954 . . . . 0.0 112.873 174.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -126.98 133.47 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.193 1.797 . . . . 0.0 110.36 -174.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.78 -38.09 82.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.158 0.983 . . . . 0.0 113.028 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.27 74.36 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.817 0.847 . . . . 0.0 112.798 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -66.28 -42.19 88.79 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.483 -0.761 . . . . 0.0 111.292 175.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.0 tp -63.87 -41.62 97.72 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.713 -0.617 . . . . 0.0 111.794 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -59.53 -38.89 82.2 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.762 -0.586 . . . . 0.0 112.399 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.4 t -72.48 -39.83 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.962 0.905 . . . . 0.0 111.652 173.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -62.43 -39.21 92.58 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.258 -0.901 . . . . 0.0 113.403 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.5 mt -60.09 -30.16 69.06 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.97 -1.081 . . . . 0.0 113.023 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -62.68 -19.45 63.87 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.253 1.021 . . . . 0.0 113.373 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -75.66 -26.8 57.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.507 1.123 . . . . 0.0 112.668 174.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 . . . . . 0 CA--C 1.551 1.009 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -177.156 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 CA--C 1.545 0.75 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.32 141.27 46.86 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.23 142.33 56.98 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.649 1.18 . . . . 0.0 111.378 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -90.36 -6.11 55.41 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.483 1.113 . . . . 0.0 112.562 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -119.56 -21.63 7.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.004 1.322 . . . . 0.0 113.772 -169.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.5 p -145.65 -170.5 3.47 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.854 1.662 . . . . 0.0 112.234 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.2 p -80.77 -0.51 38.93 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.212 1.405 . . . . 0.0 114.776 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -63.8 141.67 58.68 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.5 p -131.52 151.7 51.36 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.37 1.468 . . . . 0.0 111.086 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.8 t -140.74 159.28 42.54 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.094 1.357 . . . . 0.0 111.378 -170.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 tp -102.7 9.05 39.4 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.67 1.188 . . . . 0.0 113.782 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.3 t -142.76 128.62 19.44 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.822 1.649 . . . . 0.0 110.975 173.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -67.55 -31.35 71.37 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.955 0.902 . . . . 0.0 112.164 176.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.59 -45.86 81.34 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.905 0.764 . . . . 0.0 112.349 174.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -68.09 -34.21 75.99 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.821 -0.811 . . . . 0.0 112.13 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.13 -40.77 96.9 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.453 -0.78 . . . . 0.0 112.099 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.93 -43.23 95.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.935 0.789 . . . . 0.0 111.118 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.4 -41.24 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.455 0.702 . . . . 0.0 111.772 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -57.58 -47.19 82.8 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.395 0.998 . . . . 0.0 111.416 171.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.69 -44.93 99.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.476 0.71 . . . . 0.0 111.206 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.69 -43.39 93.66 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.83 -33.49 30.67 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -174.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 t -99.66 -36.63 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.802 0.841 . . . . 0.0 112.54 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -169.257 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 111.183 0.068 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.1 m -136.13 135.76 39.52 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.668 0.787 . . . . 0.0 111.939 -169.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -72.14 129.87 39.5 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.212 1.405 . . . . 0.0 111.228 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -84.31 -6.19 59.36 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.96 -31.79 8.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.471 1.108 . . . . 0.0 113.761 -174.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.79 10.45 3.96 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 59.7 14.18 3.91 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.904 2.082 . . . . 0.0 115.875 175.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -67.54 149.9 49.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.788 1.235 . . . . 0.0 112.261 174.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -118.11 137.03 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.416 1.486 . . . . 0.0 110.791 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -134.82 144.7 47.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.571 1.948 . . . . 0.0 111.31 -173.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -73.49 -29.18 62.34 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -134.54 153.89 51.72 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.954 1.302 . . . . 0.0 112.588 -173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -63.97 -37.91 89.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.623 0.769 . . . . 0.0 112.469 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -64.43 -32.0 73.44 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 m -68.81 -42.29 77.48 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.387 0.675 . . . . 0.0 111.643 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.22 -42.46 88.67 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.972 -0.455 . . . . 0.0 111.751 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.8 -38.82 86.63 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.881 0.873 . . . . 0.0 112.639 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.73 -32.46 63.87 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -67.74 -41.3 83.66 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.532 0.733 . . . . 0.0 112.322 173.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.49 -15.99 21.33 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.908 1.283 . . . . 0.0 114.041 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -61.6 -16.15 45.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.003 1.321 . . . . 0.0 114.234 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 124.415 1.086 . . . . 0.0 113.309 173.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 CA--C 1.534 0.504 0 N-CA-C 114.649 0.98 . . . . 0.0 114.649 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -85.47 81.68 8.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.948 0.88 . . . . 0.0 111.115 -172.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -88.1 138.14 31.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.647 1.579 . . . . 0.0 112.133 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -69.4 135.2 88.73 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.611 1.164 . . . . 0.0 111.452 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -79.27 -9.07 15.21 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.449 2.766 . . . . 0.0 113.251 172.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -115.57 -21.92 9.49 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -171.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.8 p -144.53 -171.7 3.65 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.951 1.251 . . . . 0.0 111.789 172.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 p -71.85 -11.16 60.67 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -50.84 141.49 13.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.537 1.935 . . . . 0.0 114.189 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.84 146.28 30.16 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.656 1.182 . . . . 0.0 111.76 169.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.9 p -136.96 168.6 19.27 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.654 1.182 . . . . 0.0 113.669 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.19 1.23 44.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.144 1.378 . . . . 0.0 113.705 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.0 mt -133.97 124.46 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.484 1.514 . . . . 0.0 109.797 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.04 -36.93 85.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.466 1.107 . . . . 0.0 112.7 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.24 69.16 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.08 0.952 . . . . 0.0 113.098 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -76.9 -40.74 46.3 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.398 -0.814 . . . . 0.0 110.998 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.8 tp -60.73 -39.46 88.7 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.396 -0.815 . . . . 0.0 111.68 170.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -59.32 -34.54 72.46 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.488 1.115 . . . . 0.0 113.006 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.6 t -83.01 -32.55 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.15 0.98 . . . . 0.0 112.026 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -63.1 -41.09 99.31 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.075 -1.015 . . . . 0.0 112.62 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.32 -31.35 71.21 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.883 -1.136 . . . . 0.0 112.612 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -67.18 -10.55 51.59 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -85.18 -16.99 38.51 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.816 1.246 . . . . 0.0 113.33 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 . . . . . 0 CA--C 1.547 0.827 0 C-N-CA 125.304 1.442 . . . . 0.0 112.511 178.459 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.21 142.46 50.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.294 1.038 . . . . 0.0 113.422 -171.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.5 144.74 56.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.085 1.354 . . . . 0.0 112.14 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -87.24 -9.71 54.37 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.485 1.114 . . . . 0.0 112.565 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -122.51 -17.06 7.11 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.865 1.266 . . . . 0.0 114.331 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.7 p -148.58 -171.3 3.82 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.339 1.456 . . . . 0.0 112.166 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 m -81.8 1.03 36.6 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.273 1.429 . . . . 0.0 114.607 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.95 143.96 57.24 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.401 1.08 . . . . 0.0 113.696 -176.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.7 p -137.57 148.63 46.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.102 1.361 . . . . 0.0 111.713 171.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.8 t -145.7 157.98 43.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.314 1.046 . . . . 0.0 112.027 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mp -83.03 9.03 11.14 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.202 1.401 . . . . 0.0 113.441 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 t -141.09 132.52 26.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.397 1.479 . . . . 0.0 111.355 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -68.63 -26.49 65.37 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.525 0.73 . . . . 0.0 112.728 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.2 -44.14 61.13 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 123.92 0.772 . . . . 0.0 112.004 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -66.18 -34.72 78.68 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.876 -0.779 . . . . 0.0 111.567 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.59 -40.88 93.19 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.449 -0.782 . . . . 0.0 112.203 172.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -59.17 -44.25 92.15 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.79 0.723 . . . . 0.0 110.977 173.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.47 -40.75 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.849 0.859 . . . . 0.0 111.894 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -58.47 -47.57 83.6 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.442 1.019 . . . . 0.0 111.556 171.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.44 -47.01 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.611 -0.68 . . . . 0.0 110.695 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.11 -35.82 79.88 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.218 1.007 . . . . 0.0 113.328 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -85.12 -36.19 21.28 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.08 -36.3 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.139 0.976 . . . . 0.0 112.891 -170.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -170.068 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.7 m -134.92 134.98 41.19 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.951 0.796 . . . . 0.0 112.544 -169.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.6 t -77.5 124.9 28.51 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.826 1.65 . . . . 0.0 110.893 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -81.5 -7.09 59.53 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -97.74 -30.74 12.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.091 0.956 . . . . 0.0 113.574 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.9 p -135.83 9.56 3.33 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.2 t30 58.21 23.57 10.43 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.239 1.815 . . . . 0.0 115.195 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -76.78 152.24 35.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.532 1.133 . . . . 0.0 111.692 172.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.0 t -121.86 137.81 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.234 1.414 . . . . 0.0 110.741 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -132.89 150.68 52.14 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.042 2.137 . . . . 0.0 111.35 -172.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -82.78 -18.95 38.81 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.721 1.209 . . . . 0.0 113.947 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -141.44 154.22 45.45 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.346 1.058 . . . . 0.0 112.844 -173.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -61.82 -44.22 97.28 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.59 1.156 . . . . 0.0 112.384 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -64.57 -35.65 81.67 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.318 0.647 . . . . 0.0 112.275 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -63.62 -44.23 94.54 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.353 0.661 . . . . 0.0 111.936 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.2 tp -65.95 -45.66 80.96 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.382 0.537 . . . . 0.0 111.827 172.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -60.94 -39.19 88.5 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.32 0.964 . . . . 0.0 112.964 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.51 -33.53 66.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.312 0.645 . . . . 0.0 112.67 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -65.02 -43.92 90.88 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.413 0.685 . . . . 0.0 112.107 172.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.54 -23.89 52.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.429 1.092 . . . . 0.0 113.772 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -53.41 -30.32 39.58 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.603 1.161 . . . . 0.0 113.614 175.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 pt . . . . . 0 N--CA 1.473 0.723 0 CA-C-N 118.945 0.793 . . . . 0.0 112.949 178.265 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo . . . . . 0 CA--C 1.532 0.413 0 N-CA-C 115.713 1.389 . . . . 0.0 115.713 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -87.31 82.84 7.47 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.981 0.912 . . . . 0.0 111.921 -173.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.52 143.95 42.22 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.121 1.368 . . . . 0.0 111.562 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.8 t -73.27 136.67 78.67 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 124.42 1.088 . . . . 0.0 111.024 169.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -74.78 -9.4 21.06 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.441 2.76 . . . . 0.0 113.339 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -117.14 -24.52 7.48 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 -172.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.8 p -146.16 -175.06 4.61 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.289 1.404 . . . . 0.0 113.381 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -71.75 -1.78 15.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.498 1.519 . . . . 0.0 114.671 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -59.49 139.63 56.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.39 1.476 . . . . 0.0 112.89 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.02 146.24 28.83 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.817 1.247 . . . . 0.0 111.326 168.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -143.09 176.65 8.95 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.247 1.019 . . . . 0.0 113.44 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.25 0.11 36.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.116 1.767 . . . . 0.0 114.115 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.4 mt -134.02 129.73 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.69 1.196 . . . . 0.0 110.425 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -63.57 -38.23 90.32 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.611 1.165 . . . . 0.0 112.838 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.59 76.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.715 0.806 . . . . 0.0 112.712 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.86 -40.22 75.88 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.313 -0.867 . . . . 0.0 111.143 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.6 -39.27 90.62 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.144 0.578 . . . . 0.0 111.883 169.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -61.85 -41.54 97.95 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.074 -1.016 . . . . 0.0 112.351 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.5 t -68.81 -34.45 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.475 -0.765 . . . . 0.0 111.831 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -65.32 -41.96 93.47 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.324 -0.86 . . . . 0.0 112.884 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.8 -33.28 72.75 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.995 -1.065 . . . . 0.0 112.499 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -61.78 -17.1 54.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 172.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -83.6 -16.64 44.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.933 1.293 . . . . 0.0 113.642 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 124.449 1.1 . . . . 0.0 111.48 175.076 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.87 142.91 50.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.237 1.015 . . . . 0.0 113.182 -173.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -64.69 143.86 57.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.999 1.32 . . . . 0.0 111.832 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -86.84 -8.48 57.27 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.402 1.081 . . . . 0.0 112.637 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -123.1 -19.45 6.04 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.923 1.289 . . . . 0.0 114.22 -170.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.41 -171.63 3.78 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.379 1.472 . . . . 0.0 112.372 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.9 m -81.11 0.17 37.35 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.307 1.443 . . . . 0.0 114.632 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.79 145.31 56.02 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.338 1.055 . . . . 0.0 113.836 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.5 p -137.24 152.38 49.77 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.238 1.415 . . . . 0.0 111.816 171.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.7 t -145.59 154.63 42.36 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.335 1.054 . . . . 0.0 111.638 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mp -77.88 -4.83 48.71 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.22 1.008 . . . . 0.0 112.881 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.2 t -123.5 127.32 48.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.579 1.552 . . . . 0.0 111.752 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -67.52 -30.47 70.14 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.436 1.095 . . . . 0.0 111.947 172.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.42 -45.13 81.34 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.967 0.794 . . . . 0.0 112.367 174.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -67.18 -36.09 81.04 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.635 -0.921 . . . . 0.0 111.716 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.0 -38.4 90.94 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.509 -0.744 . . . . 0.0 112.311 172.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.59 -46.02 91.79 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.846 171.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.1 t -58.47 -42.53 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 119.667 1.122 . . . . 0.0 111.532 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -56.66 -47.48 79.7 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.078 0.854 . . . . 0.0 112.022 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.04 -48.04 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.106 -0.997 . . . . 0.0 111.367 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.09 -35.47 73.45 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.385 1.474 . . . . 0.0 112.782 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -91.66 -36.41 13.65 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.5 -36.61 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 118.911 0.778 . . . . 0.0 113.069 -170.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.208 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m -132.68 135.69 45.96 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.738 0.815 . . . . 0.0 112.172 -170.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.27 130.93 40.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.178 1.391 . . . . 0.0 111.649 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.19 -10.32 59.64 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -102.03 -30.7 11.03 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -174.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 p -135.03 3.83 3.2 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 59.43 20.68 9.04 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.245 1.818 . . . . 0.0 115.466 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -68.56 151.91 46.11 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.001 -1.062 . . . . 0.0 111.581 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.16 137.64 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.39 1.476 . . . . 0.0 111.014 -174.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -135.91 148.89 48.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.612 1.965 . . . . 0.0 111.429 -171.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -82.17 -19.67 39.44 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 -176.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -138.04 153.16 49.38 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.622 1.169 . . . . 0.0 112.813 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.56 -41.91 95.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.518 1.127 . . . . 0.0 112.152 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -66.02 -32.57 74.12 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.6 m -67.99 -42.4 80.81 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.318 0.647 . . . . 0.0 111.705 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.81 -45.73 81.23 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.265 0.484 . . . . 0.0 111.556 172.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -59.98 -38.47 82.66 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.267 -0.896 . . . . 0.0 112.776 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.42 64.65 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -66.83 -43.48 83.62 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.571 -0.706 . . . . 0.0 112.33 172.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.9 mt -57.57 -21.09 36.6 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.496 1.118 . . . . 0.0 113.558 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.33 -25.38 34.38 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.385 1.474 . . . . 0.0 114.24 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.5 pt . . . . . 0 N--CA 1.475 0.802 0 CA-C-N 119.206 0.912 . . . . 0.0 112.629 176.788 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 CA--C 1.531 0.373 0 N-CA-C 114.465 0.91 . . . . 0.0 114.465 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -90.06 74.3 7.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 122.287 1.041 . . . . 0.0 110.72 -169.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -78.42 142.59 37.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.979 1.712 . . . . 0.0 111.16 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -70.88 136.15 85.3 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 124.01 0.924 . . . . 0.0 111.128 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.87 -9.9 21.17 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.373 2.715 . . . . 0.0 113.127 173.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -113.74 -27.97 7.61 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.0 p -144.16 -173.69 4.08 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.259 1.391 . . . . 0.0 113.402 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 p -74.85 -1.18 21.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.479 1.512 . . . . 0.0 114.808 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.85 142.41 50.59 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.792 1.637 . . . . 0.0 113.258 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.57 152.36 37.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.068 1.347 . . . . 0.0 112.151 168.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -146.55 167.03 24.71 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.979 0.911 . . . . 0.0 113.205 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.21 0.86 48.97 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.059 1.744 . . . . 0.0 113.308 172.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.39 126.12 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.089 1.355 . . . . 0.0 110.12 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -65.12 -40.55 94.64 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.033 0.933 . . . . 0.0 112.805 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.8 -28.74 69.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.857 0.863 . . . . 0.0 112.737 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -69.9 -43.44 71.74 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.481 -0.762 . . . . 0.0 110.746 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.36 -35.52 79.38 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.751 -0.593 . . . . 0.0 111.925 169.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -61.13 -47.66 85.19 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.632 1.106 . . . . 0.0 111.859 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.36 -33.06 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.092 0.957 . . . . 0.0 111.843 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.09 -44.29 76.58 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.371 -0.831 . . . . 0.0 112.913 173.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.9 mt -64.15 -29.85 70.95 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.603 -1.311 . . . . 0.0 112.578 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -61.65 -16.12 45.82 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 170.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -80.75 -34.43 34.35 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.24 1.016 . . . . 0.0 112.504 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 N--CA 1.471 0.614 0 C-N-CA 124.829 1.252 . . . . 0.0 113.717 179.434 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.72 139.72 51.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.076 0.95 . . . . 0.0 113.19 -170.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.4 t -68.61 144.97 54.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.91 1.284 . . . . 0.0 112.336 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.6 -9.46 49.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.672 1.189 . . . . 0.0 112.433 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -117.72 -22.26 8.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.265 1.426 . . . . 0.0 113.598 -170.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.1 p -146.43 -172.42 3.95 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.857 1.663 . . . . 0.0 112.316 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 m -82.19 2.46 31.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.278 1.431 . . . . 0.0 114.619 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.93 138.15 58.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.548 1.139 . . . . 0.0 113.456 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.1 p -138.74 140.56 38.73 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.056 1.343 . . . . 0.0 111.628 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.6 p -144.66 169.8 17.3 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.68 1.192 . . . . 0.0 113.016 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mp -86.77 -10.12 54.31 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -175.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.2 m -137.81 124.57 21.1 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.235 1.014 . . . . 0.0 112.459 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -62.96 -30.01 71.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.134 0.974 . . . . 0.0 113.333 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.1 -34.3 89.56 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 123.702 0.667 . . . . 0.0 113.455 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -75.3 -31.89 60.8 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.094 0.947 . . . . 0.0 111.909 173.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.45 -43.17 91.19 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.521 -0.737 . . . . 0.0 112.267 171.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -56.65 -45.21 81.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.455 1.102 . . . . 0.0 111.789 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 p -79.08 -25.44 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -60.28 -45.19 94.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.397 -1.44 . . . . 0.0 110.603 167.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.26 -46.11 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.029 0.532 . . . . 0.0 110.588 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.81 -36.21 81.84 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -73.78 -41.29 62.62 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.3 t -102.67 -33.87 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -168.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -168.336 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.3 m -131.69 134.76 46.28 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.576 -0.702 . . . . 0.0 112.2 -169.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.71 129.04 37.31 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.026 1.33 . . . . 0.0 111.314 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.58 -8.33 59.7 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -104.6 -31.49 9.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.435 1.094 . . . . 0.0 113.886 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 p -133.57 7.9 3.87 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.6 t30 58.15 20.06 6.68 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.438 1.895 . . . . 0.0 115.525 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -70.09 150.18 46.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.592 1.157 . . . . 0.0 111.738 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -118.97 136.46 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.21 1.404 . . . . 0.0 110.663 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -132.67 146.37 51.82 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.795 2.038 . . . . 0.0 110.863 -174.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -82.72 -13.23 56.72 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -142.05 150.84 41.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.674 1.19 . . . . 0.0 112.299 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -63.71 -42.67 97.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.281 1.032 . . . . 0.0 112.48 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -64.37 -34.97 79.38 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.361 0.664 . . . . 0.0 112.4 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -64.55 -42.33 95.75 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.33 0.652 . . . . 0.0 112.066 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.8 tp -67.16 -45.4 77.11 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.301 0.501 . . . . 0.0 111.736 172.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -60.1 -38.76 83.93 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.396 0.998 . . . . 0.0 112.739 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.05 -27.86 61.13 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -70.66 -43.42 69.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.046 0.939 . . . . 0.0 112.084 170.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.28 -20.34 41.76 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.603 1.161 . . . . 0.0 113.785 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 mtp-105 -49.28 -28.55 4.86 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.334 1.454 . . . . 0.0 114.438 170.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 pt . . . . . 0 N--CA 1.476 0.83 0 CA-C-N 119.658 1.117 . . . . 0.0 113.629 179.269 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo . . . . . 0 CA--C 1.532 0.414 0 N-CA-C 114.707 1.003 . . . . 0.0 114.707 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -87.52 86.74 7.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.879 0.871 . . . . 0.0 110.856 -175.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.39 143.1 26.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.691 1.596 . . . . 0.0 112.306 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.9 t -73.17 133.34 81.38 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.329 1.052 . . . . 0.0 110.473 171.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -78.66 -8.74 15.92 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.15 2.567 . . . . 0.0 112.625 171.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -113.82 -21.58 10.6 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -171.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -144.46 -171.7 3.65 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.707 1.139 . . . . 0.0 112.516 171.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.7 p -74.37 -1.49 21.2 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.237 1.415 . . . . 0.0 114.531 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -61.77 141.45 57.89 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.563 1.545 . . . . 0.0 113.626 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.45 152.06 35.03 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.761 1.224 . . . . 0.0 111.856 169.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.3 p -141.55 175.05 9.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.958 1.303 . . . . 0.0 113.201 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.59 3.91 37.83 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.239 1.416 . . . . 0.0 113.992 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.2 mt -136.83 124.72 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.838 1.255 . . . . 0.0 110.669 -176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.95 -39.76 93.2 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.782 1.233 . . . . 0.0 113.132 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.15 77.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.567 0.747 . . . . 0.0 112.529 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -34.0 64.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.253 -0.905 . . . . 0.0 111.48 176.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.6 tp -64.49 -38.43 90.99 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.607 -0.683 . . . . 0.0 111.395 169.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -62.31 -42.87 99.73 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.324 0.966 . . . . 0.0 112.08 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.87 -35.34 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.639 0.776 . . . . 0.0 111.82 173.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.22 -44.62 79.08 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 172.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.29 -32.97 72.81 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.655 -1.278 . . . . 0.0 112.189 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -62.75 -13.38 32.15 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.707 1.203 . . . . 0.0 113.972 172.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -85.57 -18.93 31.95 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.022 1.329 . . . . 0.0 113.656 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 124.377 1.071 . . . . 0.0 111.11 175.708 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.48 145.19 50.2 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -168.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.9 t -69.69 145.0 52.68 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.4 1.48 . . . . 0.0 112.396 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.24 -8.16 54.03 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.911 1.285 . . . . 0.0 112.828 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -123.27 -17.09 6.7 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.9 p -148.83 -170.9 3.74 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.512 1.525 . . . . 0.0 112.315 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.5 m -81.21 2.08 29.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.436 1.494 . . . . 0.0 114.719 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.6 138.65 58.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.337 1.055 . . . . 0.0 113.407 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.9 p -137.14 150.04 47.7 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.169 1.388 . . . . 0.0 111.924 170.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.7 p -146.77 178.9 7.96 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.782 1.633 . . . . 0.0 112.36 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.2 mt -113.94 23.96 12.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.985 1.314 . . . . 0.0 112.973 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 t -153.73 137.84 16.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.794 1.238 . . . . 0.0 111.926 170.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -62.6 -25.29 68.01 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 169.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.82 -44.79 88.35 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.074 0.845 . . . . 0.0 112.104 171.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.33 -38.08 89.77 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 117.846 0.823 . . . . 0.0 111.558 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.47 -44.31 94.82 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.243 0.617 . . . . 0.0 111.973 174.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.57 -47.5 85.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.039 0.536 . . . . 0.0 111.068 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.42 -41.98 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.997 0.919 . . . . 0.0 111.524 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.24 -51.44 68.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.782 0.719 . . . . 0.0 112.192 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 98.2 mt -66.42 -44.69 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.169 -0.957 . . . . 0.0 111.099 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -62.82 -25.76 68.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.598 1.159 . . . . 0.0 113.541 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.27 -37.89 9.49 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -98.43 -35.06 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.858 0.863 . . . . 0.0 113.119 -169.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -169.858 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -133.74 134.97 43.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.419 0.687 . . . . 0.0 112.007 -169.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -72.97 130.55 40.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.138 1.375 . . . . 0.0 111.534 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -82.89 -8.85 59.54 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -103.85 -31.33 9.84 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.399 1.079 . . . . 0.0 113.724 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -134.18 8.01 3.7 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 58.38 20.17 7.1 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.392 1.877 . . . . 0.0 115.57 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -71.59 151.04 44.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.672 1.189 . . . . 0.0 111.804 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -118.44 137.25 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.333 1.453 . . . . 0.0 110.785 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -134.53 148.39 50.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.663 1.985 . . . . 0.0 111.381 -172.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -77.26 -23.2 51.26 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -175.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -140.47 155.48 46.66 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.419 1.088 . . . . 0.0 112.654 -172.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -58.8 -44.03 90.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.277 1.031 . . . . 0.0 111.848 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -66.01 -31.76 72.84 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 m -66.15 -45.55 80.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.625 0.77 . . . . 0.0 111.499 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 tp -65.49 -42.98 91.55 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 122.052 -0.405 . . . . 0.0 111.915 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -59.49 -41.32 89.56 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.188 0.903 . . . . 0.0 112.672 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.29 70.88 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -66.27 -42.88 87.86 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.427 0.691 . . . . 0.0 112.152 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.8 mt -57.69 -20.7 35.86 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.439 1.096 . . . . 0.0 113.646 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -58.28 -20.1 39.91 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 pt . . . . . 0 N--CA 1.474 0.741 0 CA-C-N 119.467 1.03 . . . . 0.0 113.221 173.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 CA--C 1.533 0.472 0 N-CA-C 115.017 1.122 . . . . 0.0 115.017 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -85.53 78.1 9.74 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.844 0.831 . . . . 0.0 111.073 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.54 145.55 28.02 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.294 1.837 . . . . 0.0 112.34 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.37 137.3 71.5 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.826 1.25 . . . . 0.0 111.029 172.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.62 -10.56 15.78 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.594 2.863 . . . . 0.0 112.952 173.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -113.25 -24.42 9.39 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -172.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.1 p -145.2 -175.42 4.69 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.271 1.396 . . . . 0.0 113.036 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -72.0 -0.64 12.1 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.306 1.442 . . . . 0.0 114.684 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -61.07 140.12 57.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.456 1.503 . . . . 0.0 113.379 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.57 152.52 38.09 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.141 1.376 . . . . 0.0 111.878 168.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t -145.72 169.97 17.44 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.454 1.101 . . . . 0.0 113.33 174.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.55 -1.04 51.33 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.037 1.735 . . . . 0.0 113.548 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.3 mt -128.4 128.29 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.066 1.346 . . . . 0.0 110.29 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -67.16 -37.35 83.6 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.504 1.121 . . . . 0.0 112.926 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.05 -30.69 71.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.489 0.716 . . . . 0.0 112.585 173.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.2 -39.92 78.34 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.094 -1.004 . . . . 0.0 111.085 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.96 -37.21 81.6 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.837 -0.54 . . . . 0.0 111.562 169.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -64.26 -36.57 84.52 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.758 -1.214 . . . . 0.0 112.83 175.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -72.85 -19.94 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.251 1.42 . . . . 0.0 112.398 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -84.74 -45.38 12.45 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.52 1.128 . . . . 0.0 113.746 170.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.04 -34.15 74.41 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.574 -1.329 . . . . 0.0 112.546 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -64.89 -9.3 20.0 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -84.68 -19.36 32.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.179 1.392 . . . . 0.0 113.135 170.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 . . . . . 0 CA--C 1.551 1.016 0 C-N-CA 125.129 1.372 . . . . 0.0 114.653 176.679 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.54 142.71 48.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.06 0.944 . . . . 0.0 113.115 -174.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.7 t -65.98 145.16 56.22 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.958 1.303 . . . . 0.0 111.96 177.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -87.61 -9.5 54.13 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.462 1.105 . . . . 0.0 112.693 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -121.87 -19.06 6.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.918 1.287 . . . . 0.0 114.124 -169.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.35 -171.37 3.72 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.394 1.478 . . . . 0.0 112.401 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.3 p -82.47 0.83 40.48 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.789 1.636 . . . . 0.0 114.855 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -62.84 143.59 57.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.338 1.055 . . . . 0.0 113.333 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.2 p -134.69 155.39 50.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.691 1.196 . . . . 0.0 112.374 170.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.8 t -144.9 158.22 43.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.902 1.281 . . . . 0.0 112.22 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.4 mt -98.42 8.41 44.9 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.99 1.316 . . . . 0.0 113.299 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.8 t -140.05 126.31 19.99 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.684 1.594 . . . . 0.0 110.719 170.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -19.21 63.35 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 174.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.85 -46.76 28.36 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.014 0.816 . . . . 0.0 111.81 171.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -68.18 -32.13 72.16 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.749 -0.853 . . . . 0.0 111.869 174.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.35 -40.02 96.13 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.209 -0.932 . . . . 0.0 112.267 170.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.42 -41.8 97.73 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.26 -0.9 . . . . 0.0 111.215 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.3 t -63.18 -40.63 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.293 0.637 . . . . 0.0 111.858 174.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -57.32 -46.42 83.25 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.407 1.003 . . . . 0.0 111.489 171.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.81 -45.26 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 O-C-N 121.45 -0.782 . . . . 0.0 110.994 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.14 -35.3 80.12 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -84.91 -37.54 20.46 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.78 -37.01 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.858 0.863 . . . . 0.0 112.672 -170.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -172.724 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 m -133.86 135.73 43.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.466 0.706 . . . . 0.0 112.062 -169.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -70.34 134.17 47.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.113 1.365 . . . . 0.0 111.871 176.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -85.13 -8.78 58.47 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -106.33 -31.71 8.48 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.449 1.1 . . . . 0.0 113.794 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -133.51 6.61 3.8 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 59.31 14.82 3.89 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.368 1.867 . . . . 0.0 115.913 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -64.16 149.81 47.0 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.502 1.121 . . . . 0.0 111.745 170.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -116.81 136.24 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.302 1.441 . . . . 0.0 110.662 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -132.89 145.19 50.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.597 1.959 . . . . 0.0 110.929 -174.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -78.48 -19.43 53.06 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -137.46 150.13 47.36 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.749 1.22 . . . . 0.0 112.347 -171.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -63.48 -42.26 98.57 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.975 0.91 . . . . 0.0 112.06 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -64.3 -35.67 81.62 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.154 0.582 . . . . 0.0 112.47 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.9 m -63.39 -43.5 97.38 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.506 0.723 . . . . 0.0 111.978 174.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.25 -45.34 80.91 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.456 0.571 . . . . 0.0 111.838 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -59.67 -39.49 84.63 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.159 -0.963 . . . . 0.0 112.807 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.4 -33.78 67.4 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -64.99 -43.54 92.24 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.515 0.726 . . . . 0.0 112.346 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.2 mt -58.2 -20.32 40.41 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -56.99 -25.39 58.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.9 1.28 . . . . 0.0 114.021 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 N--CA 1.476 0.85 0 CA-C-N 119.197 0.908 . . . . 0.0 112.565 176.334 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 CA--C 1.536 0.606 0 N-CA-C 115.915 1.467 . . . . 0.0 115.915 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -85.38 84.75 7.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.824 0.738 . . . . 0.0 111.435 -169.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -73.73 141.15 46.36 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.131 1.372 . . . . 0.0 111.894 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -67.54 132.46 92.88 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.41 1.484 . . . . 0.0 110.618 174.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -66.28 -14.93 46.4 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.241 2.627 . . . . 0.0 113.784 170.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -113.43 -25.93 8.57 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -169.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -143.14 -172.64 3.72 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 120.349 1.431 . . . . 0.0 113.178 175.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.1 p -72.91 -3.14 23.94 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.744 1.618 . . . . 0.0 114.428 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -63.98 149.13 48.0 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.585 1.554 . . . . 0.0 113.383 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.5 144.43 28.56 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.553 1.141 . . . . 0.0 111.968 169.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.9 t -119.14 157.54 27.71 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.815 1.246 . . . . 0.0 113.369 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.87 -6.42 58.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.844 1.258 . . . . 0.0 112.774 169.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.2 mt -133.07 128.11 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.97 1.308 . . . . 0.0 110.289 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -63.88 -39.11 93.42 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.69 0.796 . . . . 0.0 112.431 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.58 -24.53 64.61 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.126 0.97 . . . . 0.0 113.475 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -75.58 -40.88 55.93 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.135 -0.978 . . . . 0.0 111.236 170.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.54 -36.26 80.08 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.592 0.633 . . . . 0.0 111.565 172.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.75 -24.63 64.2 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.745 1.218 . . . . 0.0 113.64 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.8 -36.39 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.939 1.295 . . . . 0.0 111.677 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -59.59 -39.3 83.69 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.093 -1.005 . . . . 0.0 113.097 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 mt -59.16 -29.84 67.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.024 -1.048 . . . . 0.0 112.769 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -68.3 -11.02 58.79 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.398 1.479 . . . . 0.0 113.716 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -82.81 -22.31 34.22 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.158 1.383 . . . . 0.0 112.864 172.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 112.948 179.022 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.59 146.99 47.74 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -169.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.83 149.79 49.43 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.466 1.506 . . . . 0.0 112.137 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -96.07 -2.78 45.97 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.191 1.396 . . . . 0.0 112.656 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -125.95 -17.06 5.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.592 1.157 . . . . 0.0 113.985 -172.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.51 -172.3 4.1 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.651 1.58 . . . . 0.0 112.081 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 m -80.96 2.91 24.79 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.346 1.459 . . . . 0.0 114.654 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.99 143.57 57.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.457 1.103 . . . . 0.0 113.66 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 p -137.72 148.3 45.53 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.246 1.418 . . . . 0.0 111.883 171.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.1 t -145.87 162.83 36.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.355 1.062 . . . . 0.0 112.341 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.4 mt -86.91 4.24 42.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.445 1.498 . . . . 0.0 113.855 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.0 t -137.26 132.53 33.89 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.982 1.313 . . . . 0.0 112.316 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -64.55 -33.24 75.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.443 1.097 . . . . 0.0 112.127 170.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.3 76.38 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.816 0.722 . . . . 0.0 112.036 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.37 -35.38 80.19 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.852 -0.793 . . . . 0.0 111.836 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.69 -38.83 84.22 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.567 -0.708 . . . . 0.0 112.05 174.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -60.88 -47.59 85.69 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.568 -0.708 . . . . 0.0 110.945 172.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.39 -41.87 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.634 0.652 . . . . 0.0 111.499 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -56.07 -47.52 77.8 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.076 0.853 . . . . 0.0 111.658 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.51 -45.67 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.094 -1.004 . . . . 0.0 111.303 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -67.23 -21.51 65.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -104.57 -46.86 4.24 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.71 -37.6 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.673 -0.642 . . . . 0.0 111.649 -172.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -171.528 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 110.618 -0.141 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 m -136.1 137.17 40.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.616 0.766 . . . . 0.0 112.36 -170.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -70.23 131.53 44.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.293 1.437 . . . . 0.0 111.618 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.42 -8.55 59.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -107.36 -31.97 7.95 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.451 1.1 . . . . 0.0 113.886 -174.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -132.57 6.52 4.08 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.3 m120 59.47 15.67 4.66 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.302 1.841 . . . . 0.0 115.848 175.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -64.15 149.91 46.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.63 1.172 . . . . 0.0 111.706 170.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.23 136.38 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.217 1.407 . . . . 0.0 110.882 -174.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -134.62 146.75 49.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.679 1.992 . . . . 0.0 110.983 -173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -73.36 -37.29 66.11 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -121.98 149.13 43.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.598 1.159 . . . . 0.0 111.766 -170.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -60.9 -42.17 97.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.723 0.809 . . . . 0.0 112.11 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -66.65 -30.51 70.79 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.2 m -66.16 -42.57 88.8 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.48 0.712 . . . . 0.0 111.581 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.7 tp -66.52 -45.74 78.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 119.131 -0.461 . . . . 0.0 111.79 172.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -58.05 -40.14 80.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.585 1.084 . . . . 0.0 112.446 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.51 62.7 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -69.06 -44.7 72.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.553 0.741 . . . . 0.0 111.985 170.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.76 -19.61 42.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.387 1.075 . . . . 0.0 113.61 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 -47.19 -35.59 7.65 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.844 1.258 . . . . 0.0 114.073 170.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 pt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -178.42 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 CA--C 1.533 0.448 0 N-CA-C 115.316 1.237 . . . . 0.0 115.316 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -92.7 87.82 6.03 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.507 0.67 . . . . 0.0 111.108 -169.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 97.7 mttt -92.54 142.39 27.46 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.814 1.246 . . . . 0.0 112.229 -177.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.3 t -67.36 136.94 93.57 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 125.002 1.321 . . . . 0.0 111.667 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.95 -10.31 24.55 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.318 2.679 . . . . 0.0 113.108 173.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.28 -27.88 7.46 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -145.06 -174.5 4.38 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.44 1.473 . . . . 0.0 113.683 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -72.94 -0.88 14.92 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.407 1.483 . . . . 0.0 114.423 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -59.39 141.92 53.47 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.153 1.381 . . . . 0.0 113.041 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . . . -141.86 148.97 39.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.897 1.279 . . . . 0.0 112.311 171.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p -135.84 159.2 42.39 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.644 1.178 . . . . 0.0 113.109 172.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.49 -0.77 54.43 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.653 1.181 . . . . 0.0 112.874 170.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.15 124.11 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.881 2.073 . . . . 0.0 109.305 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -62.31 -36.81 83.3 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.039 0.936 . . . . 0.0 112.854 -175.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -31.59 72.76 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.849 0.86 . . . . 0.0 112.877 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -71.93 -39.3 69.55 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.426 -0.796 . . . . 0.0 111.107 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.79 -41.48 95.79 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.632 0.651 . . . . 0.0 111.619 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -56.64 -44.87 81.72 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.254 0.622 . . . . 0.0 111.845 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.49 -39.4 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.687 0.795 . . . . 0.0 111.897 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -57.99 -37.25 73.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.403 1.001 . . . . 0.0 113.076 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.59 -29.03 68.94 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.044 -1.035 . . . . 0.0 113.292 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -62.38 -21.35 65.28 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 172.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -77.31 -19.4 56.46 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.533 1.133 . . . . 0.0 113.136 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 124.862 1.265 . . . . 0.0 110.783 169.835 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.69 144.35 47.74 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.03 0.932 . . . . 0.0 112.939 -174.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.5 t -65.6 145.96 55.42 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.386 1.475 . . . . 0.0 112.062 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.03 -8.09 50.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.702 1.201 . . . . 0.0 112.646 175.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -119.27 -20.51 7.9 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.28 1.432 . . . . 0.0 113.561 -170.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.12 -170.1 3.46 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.93 1.692 . . . . 0.0 112.063 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 m -83.63 1.27 43.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.329 1.452 . . . . 0.0 114.723 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -63.07 145.31 55.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.781 1.232 . . . . 0.0 114.02 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -129.8 152.43 49.3 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.013 1.725 . . . . 0.0 112.0 172.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.1 t -145.14 157.33 44.12 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.629 1.172 . . . . 0.0 111.985 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.01 -1.03 57.57 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.102 1.361 . . . . 0.0 112.667 174.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 t -138.01 128.42 26.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.756 1.622 . . . . 0.0 111.483 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -68.17 -27.54 66.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.662 0.785 . . . . 0.0 112.917 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.27 -44.32 66.39 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.95 0.786 . . . . 0.0 112.159 174.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -69.58 -33.26 72.45 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.703 -0.88 . . . . 0.0 111.891 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.73 -38.33 90.63 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.644 -0.66 . . . . 0.0 112.274 171.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.75 -40.83 93.93 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.053 0.842 . . . . 0.0 111.368 173.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.5 t -66.38 -42.42 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.161 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -53.88 -45.7 71.11 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.402 1.455 . . . . 0.0 111.578 172.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.13 -47.92 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.297 -0.877 . . . . 0.0 111.342 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -61.6 -47.7 84.27 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -92.96 -16.75 24.76 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -168.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.4 -45.14 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.185 0.994 . . . . 0.0 112.075 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -169.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 110.867 -0.049 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.0 m -134.64 134.74 41.51 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.764 0.826 . . . . 0.0 111.9 -170.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -71.17 131.95 44.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.131 1.372 . . . . 0.0 111.488 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.06 -7.11 59.48 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.09 -31.59 8.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.549 1.139 . . . . 0.0 113.903 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -133.49 9.31 3.98 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 59.47 13.52 3.3 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.801 2.041 . . . . 0.0 115.824 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -65.86 149.45 50.17 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.719 1.208 . . . . 0.0 111.927 173.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.42 138.04 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.195 1.398 . . . . 0.0 110.88 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -133.37 145.65 50.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.79 2.036 . . . . 0.0 110.984 -173.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.42 -28.8 62.19 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.237 1.015 . . . . 0.0 113.302 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -134.55 153.58 51.88 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.692 1.197 . . . . 0.0 113.038 -170.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -61.5 -45.38 94.47 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.6 1.16 . . . . 0.0 112.408 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -63.28 -35.15 79.41 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.227 0.611 . . . . 0.0 112.485 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 m -63.77 -43.02 97.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.536 0.734 . . . . 0.0 111.952 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 tp -67.38 -44.72 78.26 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.21 0.459 . . . . 0.0 111.942 172.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -57.99 -41.02 82.13 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.428 -0.795 . . . . 0.0 112.61 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.82 -34.0 68.96 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -66.05 -42.77 89.08 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.433 0.693 . . . . 0.0 112.213 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.12 -19.7 47.05 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -59.0 -22.38 60.54 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.81 1.244 . . . . 0.0 114.163 176.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 N--CA 1.474 0.742 0 CA-C-N 119.312 0.96 . . . . 0.0 112.834 176.959 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 CA--C 1.533 0.453 0 N-CA-C 115.302 1.231 . . . . 0.0 115.302 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -82.23 79.28 8.76 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.852 0.834 . . . . 0.0 111.401 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -84.78 141.58 30.41 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.073 1.749 . . . . 0.0 111.507 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.1 t -70.78 136.62 85.44 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.404 1.082 . . . . 0.0 111.572 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -73.08 -9.9 23.93 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 123.405 2.737 . . . . 0.0 113.131 171.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -117.17 -25.15 7.22 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.7 p -145.18 -172.22 3.82 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.531 1.514 . . . . 0.0 113.631 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.9 p -76.57 -0.53 23.58 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.625 1.57 . . . . 0.0 114.65 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -57.28 139.69 52.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.345 1.458 . . . . 0.0 112.875 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.87 148.37 33.87 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.143 1.377 . . . . 0.0 112.001 169.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 t -145.47 175.96 9.95 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.236 1.015 . . . . 0.0 113.474 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.41 -0.75 42.98 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.964 1.706 . . . . 0.0 114.016 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 mt -135.99 131.64 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.939 1.296 . . . . 0.0 110.442 -177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -62.74 -39.39 93.96 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.11 0.964 . . . . 0.0 112.574 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.61 74.87 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.598 0.759 . . . . 0.0 112.608 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -70.52 -37.6 74.15 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.115 -0.991 . . . . 0.0 111.351 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.24 -36.32 83.27 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.612 -0.68 . . . . 0.0 112.141 169.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -62.99 -41.83 99.68 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.896 -1.127 . . . . 0.0 111.688 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.0 -24.43 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.079 1.352 . . . . 0.0 112.436 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -79.16 -42.43 26.16 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 171.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -60.9 -35.25 76.18 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.656 -1.277 . . . . 0.0 112.617 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -66.37 -8.82 28.01 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -87.99 -11.02 48.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.453 1.501 . . . . 0.0 113.638 171.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 175.384 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.3 141.77 49.71 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.045 0.938 . . . . 0.0 113.321 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.1 t -65.99 145.86 55.38 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.99 1.316 . . . . 0.0 112.344 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -88.07 -10.28 50.68 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.717 1.207 . . . . 0.0 112.611 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -119.95 -20.68 7.41 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.034 1.334 . . . . 0.0 113.995 -170.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.5 p -146.74 -172.88 4.08 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.497 1.519 . . . . 0.0 112.405 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 m -80.55 0.9 31.86 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.184 1.393 . . . . 0.0 114.609 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -63.02 144.68 56.67 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.505 1.122 . . . . 0.0 113.724 -176.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.6 p -134.85 152.85 52.09 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.21 1.404 . . . . 0.0 111.662 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.4 t -144.02 158.6 43.61 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.286 1.034 . . . . 0.0 112.279 177.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.57 -3.54 50.69 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.688 1.595 . . . . 0.0 113.409 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 t -134.27 131.43 38.44 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.193 1.397 . . . . 0.0 111.942 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -21.27 63.21 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 171.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.23 -44.52 28.4 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.104 0.859 . . . . 0.0 111.797 173.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -66.73 -34.67 78.36 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.818 -0.813 . . . . 0.0 111.594 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.0 -40.45 96.38 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.515 -0.741 . . . . 0.0 112.386 173.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.27 -43.01 92.54 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.542 -0.724 . . . . 0.0 111.247 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.73 -40.53 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.311 0.644 . . . . 0.0 111.858 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -55.51 -45.68 77.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.544 1.066 . . . . 0.0 111.224 172.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.55 -47.37 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.408 -0.807 . . . . 0.0 110.728 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.59 -20.9 65.43 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.057 1.502 . . . . 0.0 115.057 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -103.23 -36.97 7.89 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -92.48 -36.92 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.664 0.786 . . . . 0.0 112.278 -174.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -169.679 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 m -120.66 135.69 55.05 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.124 0.97 . . . . 0.0 112.261 -174.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.47 130.83 44.03 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.948 2.099 . . . . 0.0 111.588 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.89 -8.14 59.66 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -105.49 -32.58 8.46 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.317 1.047 . . . . 0.0 113.785 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -133.09 7.04 3.94 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.9 t30 59.29 16.31 4.91 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.474 1.91 . . . . 0.0 115.73 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -68.58 144.35 54.57 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.994 -1.066 . . . . 0.0 110.868 169.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 p -125.17 138.87 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.345 1.058 . . . . 0.0 112.308 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -130.11 148.6 51.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.704 2.401 . . . . 0.0 110.38 -169.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -78.99 -17.7 54.94 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -177.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -136.94 151.28 48.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.757 1.223 . . . . 0.0 112.662 -171.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -62.46 -44.75 95.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.355 1.062 . . . . 0.0 112.482 -177.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -63.44 -36.84 85.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.43 0.692 . . . . 0.0 112.434 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.1 m -63.53 -42.7 98.41 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.583 0.753 . . . . 0.0 112.111 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -69.04 -46.03 68.92 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.34 0.518 . . . . 0.0 111.744 172.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -60.58 -37.46 81.4 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.383 0.992 . . . . 0.0 112.97 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.4 61.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -64.92 -44.46 89.44 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.604 0.638 . . . . 0.0 112.093 171.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.65 -24.11 54.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.523 1.129 . . . . 0.0 113.633 -175.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -51.53 -30.75 21.61 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.207 1.403 . . . . 0.0 114.051 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 pt . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.91 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 CA--C 1.535 0.565 0 N-CA-C 114.896 1.075 . . . . 0.0 114.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -87.42 83.64 7.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.554 0.692 . . . . 0.0 110.786 -172.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -89.33 144.58 25.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.11 1.764 . . . . 0.0 112.354 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.7 t -75.05 137.1 72.66 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.887 1.275 . . . . 0.0 111.437 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.76 -14.87 15.47 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.628 2.885 . . . . 0.0 112.909 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -107.19 -27.34 10.62 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -173.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.5 p -144.62 -175.62 4.73 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.255 1.389 . . . . 0.0 113.135 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -71.95 -1.17 13.5 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.341 1.456 . . . . 0.0 114.625 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -61.05 141.05 57.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.731 1.612 . . . . 0.0 113.611 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.66 151.13 35.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.069 1.348 . . . . 0.0 112.009 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t -142.13 165.09 28.4 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.369 1.068 . . . . 0.0 113.322 174.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.15 -6.53 59.29 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.134 1.374 . . . . 0.0 113.542 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.7 mm -125.23 133.57 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.584 1.554 . . . . 0.0 110.888 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.82 -37.56 84.75 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.816 0.846 . . . . 0.0 112.463 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.15 86.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.72 0.808 . . . . 0.0 112.682 173.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -61.48 -43.45 98.85 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.582 1.083 . . . . 0.0 111.448 172.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 tp -62.83 -36.8 84.39 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.812 -0.555 . . . . 0.0 112.262 174.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -64.38 -42.65 96.05 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.91 1.232 . . . . 0.0 112.588 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.2 -23.63 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.884 1.274 . . . . 0.0 112.126 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -83.07 -44.16 15.48 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.573 1.149 . . . . 0.0 113.715 172.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.43 -33.03 73.99 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.52 -1.363 . . . . 0.0 112.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -65.08 -12.08 46.73 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 173.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -80.84 -19.67 44.08 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.918 1.287 . . . . 0.0 112.783 169.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 . . . . . 0 CA--C 1.55 0.968 0 C-N-CA 125.949 1.7 . . . . 0.0 114.491 179.857 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.59 145.04 46.76 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -169.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.0 t -70.94 146.97 49.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.026 1.33 . . . . 0.0 112.419 176.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -93.86 -9.96 35.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.223 1.409 . . . . 0.0 112.509 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -117.7 -17.96 9.77 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.327 1.451 . . . . 0.0 113.617 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 p -148.56 -173.58 4.37 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.893 1.677 . . . . 0.0 111.934 171.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.2 m -80.94 1.86 29.25 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.262 1.425 . . . . 0.0 114.577 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.93 146.2 54.48 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.7 p -136.03 152.86 51.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.763 1.225 . . . . 0.0 111.985 168.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 27.1 p -144.01 -177.42 5.43 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.345 1.858 . . . . 0.0 110.452 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.79 15.3 21.97 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -174.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -152.8 142.24 21.69 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.615 1.166 . . . . 0.0 112.171 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -60.41 -28.35 68.18 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.772 0.829 . . . . 0.0 112.959 169.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.81 -42.49 78.84 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 123.8 0.714 . . . . 0.0 112.262 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.79 -34.44 78.17 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.696 -0.885 . . . . 0.0 111.569 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.11 -44.59 79.54 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 111.84 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -58.89 -43.26 90.91 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.103 0.961 . . . . 0.0 111.49 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.94 -41.59 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.224 1.01 . . . . 0.0 112.115 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -58.52 -46.89 85.81 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.289 0.95 . . . . 0.0 111.689 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.0 -44.85 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 121.599 -0.688 . . . . 0.0 110.511 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.73 -33.3 73.8 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -89.9 -36.38 15.07 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -102.56 -34.65 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -169.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -169.311 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 CA--C 1.538 0.498 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.8 m -131.5 135.04 46.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.526 0.73 . . . . 0.0 112.364 -169.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -73.87 133.96 43.21 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.309 1.443 . . . . 0.0 111.962 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.28 -10.16 58.69 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -104.23 -32.25 9.2 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -174.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -132.29 3.68 3.98 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.1 t30 58.78 20.37 7.86 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.216 1.806 . . . . 0.0 115.331 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -68.23 152.42 45.49 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.157 -0.964 . . . . 0.0 111.525 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.63 137.73 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.279 1.432 . . . . 0.0 110.755 -176.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -132.89 146.45 51.81 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.711 2.005 . . . . 0.0 111.277 -172.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -79.22 -21.39 46.32 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.86 1.264 . . . . 0.0 113.617 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -137.75 151.83 48.59 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.627 1.171 . . . . 0.0 112.558 -173.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.42 -42.6 95.95 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.096 0.959 . . . . 0.0 112.445 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -63.29 -35.7 81.23 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.28 0.632 . . . . 0.0 112.36 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.1 m -63.41 -43.25 98.05 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.555 0.742 . . . . 0.0 111.89 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.8 -45.87 77.0 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.518 0.599 . . . . 0.0 111.873 172.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -59.29 -40.16 85.27 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.15 0.886 . . . . 0.0 112.584 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.46 -34.88 68.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.314 0.646 . . . . 0.0 112.635 174.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -64.79 -44.04 91.24 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.373 0.669 . . . . 0.0 112.074 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.02 -23.63 54.99 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.984 0.913 . . . . 0.0 113.393 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -63.57 -20.73 65.88 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 pt . . . . . 0 N--CA 1.476 0.838 0 CA-C-N 119.685 1.13 . . . . 0.0 112.489 173.012 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo . . . . . 0 CA--C 1.537 0.662 0 N-CA-C 114.728 1.011 . . . . 0.0 114.728 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -91.55 83.35 5.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.861 0.755 . . . . 0.0 112.348 -169.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.29 145.17 44.18 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.29 1.036 . . . . 0.0 111.766 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.6 t -71.07 137.87 84.76 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.06 1.344 . . . . 0.0 111.003 169.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -75.73 -9.96 19.9 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.467 2.778 . . . . 0.0 113.131 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -113.61 -27.73 7.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -174.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.8 p -143.34 -173.49 3.95 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 120.155 1.343 . . . . 0.0 113.283 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -72.09 -7.84 51.25 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.282 1.433 . . . . 0.0 114.527 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -54.79 140.43 36.34 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.842 1.657 . . . . 0.0 113.413 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.98 150.38 36.83 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.567 1.147 . . . . 0.0 111.866 168.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -134.88 159.35 41.69 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.867 1.267 . . . . 0.0 113.17 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.4 -6.63 58.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.895 1.278 . . . . 0.0 112.912 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.5 mt -128.26 126.08 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.092 1.357 . . . . 0.0 110.291 -174.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -67.27 -34.67 77.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.929 0.892 . . . . 0.0 112.536 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.43 73.87 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.057 0.943 . . . . 0.0 112.766 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -71.38 -39.34 71.27 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.606 -0.684 . . . . 0.0 111.281 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.5 -38.92 89.08 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.422 -0.799 . . . . 0.0 111.614 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -66.96 -12.49 59.82 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 174.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.3 t -95.47 -38.0 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.899 1.28 . . . . 0.0 110.916 168.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.33 -40.05 96.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.287 1.035 . . . . 0.0 113.617 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -59.11 -28.45 66.54 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.158 -0.964 . . . . 0.0 113.171 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -62.06 -22.92 66.16 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.565 1.146 . . . . 0.0 112.826 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -76.94 -19.79 56.95 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.709 1.204 . . . . 0.0 112.999 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 CA--C 1.549 0.906 0 C-N-CA 125.303 1.441 . . . . 0.0 114.35 176.331 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.13 144.21 42.9 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.962 0.905 . . . . 0.0 113.319 -169.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.8 t -71.17 148.08 47.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.198 1.399 . . . . 0.0 112.737 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -95.07 -10.1 31.73 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.328 1.451 . . . . 0.0 112.525 175.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -116.95 -19.81 9.65 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.246 1.419 . . . . 0.0 113.633 -171.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.4 p -146.18 -170.19 3.43 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.8 1.64 . . . . 0.0 111.875 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 p -84.41 1.38 45.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.664 1.586 . . . . 0.0 114.812 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.97 144.84 56.46 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.3 p -138.57 150.43 46.32 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.047 1.339 . . . . 0.0 112.401 171.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.8 p -145.97 173.34 12.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.607 1.563 . . . . 0.0 112.493 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.27 7.44 45.67 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.6 t -144.55 141.68 29.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.039 1.336 . . . . 0.0 112.13 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.15 -29.61 68.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.453 1.101 . . . . 0.0 112.33 172.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.34 -42.64 93.89 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 123.703 0.668 . . . . 0.0 111.784 171.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -65.14 -36.11 83.22 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.794 -0.827 . . . . 0.0 111.666 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.45 -42.73 95.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.433 0.693 . . . . 0.0 111.706 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -58.92 -48.02 82.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.156 0.583 . . . . 0.0 110.779 174.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.89 -42.06 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 118.67 0.668 . . . . 0.0 111.559 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -57.32 -49.43 76.13 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.367 0.985 . . . . 0.0 111.806 174.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.31 -44.82 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.059 -1.026 . . . . 0.0 111.231 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -74.43 -17.57 60.77 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -107.01 -30.39 8.85 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 175.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.72 -39.83 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 119.43 1.014 . . . . 0.0 112.171 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.614 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -133.84 134.36 42.7 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.489 0.715 . . . . 0.0 111.935 -169.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 t -72.58 130.71 41.23 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.982 1.313 . . . . 0.0 111.467 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.37 -7.99 59.48 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -104.54 -31.4 9.46 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.521 1.128 . . . . 0.0 113.86 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 p -133.69 7.37 3.8 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.28 18.36 6.58 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.35 1.86 . . . . 0.0 115.344 175.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -69.31 150.6 47.19 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.959 -1.088 . . . . 0.0 111.795 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.9 t -118.12 136.85 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.459 1.504 . . . . 0.0 110.627 -176.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -133.93 147.38 51.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.636 1.974 . . . . 0.0 111.575 -172.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -77.08 -26.37 53.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.35 1.06 . . . . 0.0 113.632 -175.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -136.1 156.22 49.03 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.649 1.18 . . . . 0.0 112.773 -173.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -61.51 -41.61 97.57 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.133 0.973 . . . . 0.0 111.983 177.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -65.47 -32.13 73.58 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 m -65.75 -45.22 83.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.701 0.8 . . . . 0.0 111.53 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.9 tp -66.29 -43.13 87.17 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.973 -0.454 . . . . 0.0 112.0 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -59.86 -40.52 88.88 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.196 -0.94 . . . . 0.0 112.504 177.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.03 -30.92 64.11 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -68.23 -41.99 80.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.729 0.811 . . . . 0.0 112.149 172.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.0 mt -59.42 -17.04 27.36 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.658 1.183 . . . . 0.0 114.1 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -57.31 -22.95 45.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 pt . . . . . 0 N--CA 1.475 0.81 0 CA-C-N 119.22 0.918 . . . . 0.0 113.097 175.511 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo . . . . . 0 CA--C 1.532 0.381 0 N-CA-C 113.863 0.678 . . . . 0.0 113.863 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -97.92 137.27 37.01 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.244 1.018 . . . . 0.0 110.868 -173.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -124.49 147.61 48.25 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.789 1.635 . . . . 0.0 111.911 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.4 t -71.34 133.47 85.27 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.488 1.115 . . . . 0.0 110.835 173.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.99 -9.29 16.75 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.619 2.879 . . . . 0.0 112.838 172.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -108.54 -29.11 8.94 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.8 p -143.51 -176.52 4.99 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.991 1.268 . . . . 0.0 112.846 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -70.72 -0.51 9.0 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.018 1.327 . . . . 0.0 114.347 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -64.95 145.79 55.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.043 1.737 . . . . 0.0 113.512 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.57 158.77 43.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.784 1.234 . . . . 0.0 112.641 170.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -139.06 153.17 48.03 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.607 1.963 . . . . 0.0 112.904 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.66 -8.1 57.74 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.804 1.241 . . . . 0.0 113.227 169.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.6 131.5 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.317 1.447 . . . . 0.0 110.757 -171.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -66.49 -34.83 78.79 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.653 0.781 . . . . 0.0 112.662 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.76 -28.73 63.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.248 1.019 . . . . 0.0 113.191 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -72.68 -37.9 67.73 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.783 -1.198 . . . . 0.0 110.849 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.8 tp -64.34 -34.86 79.11 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.668 -0.645 . . . . 0.0 112.256 171.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -57.66 -49.87 75.05 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.172 -0.955 . . . . 0.0 111.569 171.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.02 -34.07 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.103 0.961 . . . . 0.0 111.849 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -68.55 -42.18 78.73 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.442 -0.786 . . . . 0.0 112.999 173.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.66 -31.1 72.16 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.48 -1.388 . . . . 0.0 112.243 173.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -65.88 -8.25 21.07 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.656 1.183 . . . . 0.0 113.907 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -87.23 -26.78 23.33 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.837 1.255 . . . . 0.0 112.385 167.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 . . . . . 0 N--CA 1.471 0.589 0 C-N-CA 125.337 1.455 . . . . 0.0 113.954 -178.72 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.49 145.29 49.62 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.451 1.101 . . . . 0.0 113.116 -175.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 45.9 t -64.78 141.72 58.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.194 1.398 . . . . 0.0 111.473 174.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.95 -7.19 59.26 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.302 1.041 . . . . 0.0 112.56 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -121.47 -23.41 5.65 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.167 1.387 . . . . 0.0 113.996 -169.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.4 p -145.72 -170.15 3.39 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.488 1.515 . . . . 0.0 112.368 176.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -81.59 -0.67 43.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.261 1.424 . . . . 0.0 114.766 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -63.47 145.76 54.99 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.307 1.043 . . . . 0.0 113.717 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.2 p -137.9 149.34 46.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.458 1.503 . . . . 0.0 112.033 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.4 t -148.01 150.01 33.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.399 1.08 . . . . 0.0 111.857 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -81.4 -7.4 59.57 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.852 0.861 . . . . 0.0 113.002 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.6 t -112.58 124.26 52.13 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.524 1.53 . . . . 0.0 111.157 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.77 -32.42 72.16 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.95 0.9 . . . . 0.0 111.92 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.87 93.74 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 123.991 0.805 . . . . 0.0 112.505 173.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -68.47 -32.74 72.96 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.676 -0.897 . . . . 0.0 112.286 175.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.72 -40.59 92.36 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.513 -0.742 . . . . 0.0 112.062 171.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.73 -42.2 98.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.325 -0.859 . . . . 0.0 111.561 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.21 -41.36 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.659 0.783 . . . . 0.0 111.64 174.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.06 -46.22 85.76 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.378 0.99 . . . . 0.0 111.636 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.51 -43.9 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 121.502 -0.748 . . . . 0.0 111.099 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -67.39 -30.96 70.87 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -85.5 -39.44 17.45 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -102.35 -30.18 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.232 1.013 . . . . 0.0 113.103 -169.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -169.233 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.2 m -133.43 134.99 44.31 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.514 0.726 . . . . 0.0 111.982 -170.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -72.11 129.26 38.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.217 1.407 . . . . 0.0 111.303 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -82.79 -6.74 59.56 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -106.57 -31.91 8.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.508 1.123 . . . . 0.0 113.786 -174.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -133.37 7.76 3.92 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 60.17 14.82 4.77 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.41 1.884 . . . . 0.0 115.863 175.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -65.45 150.94 47.5 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 111.887 170.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -120.18 137.73 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.289 1.436 . . . . 0.0 110.769 -176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -134.69 148.88 50.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.786 2.034 . . . . 0.0 111.248 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -78.4 -25.48 46.13 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -137.11 154.36 50.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.424 1.09 . . . . 0.0 112.931 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.92 -41.88 92.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.682 1.193 . . . . 0.0 112.268 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -65.72 -32.73 74.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.54 0.736 . . . . 0.0 112.844 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.5 m -67.92 -43.65 78.69 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.455 0.702 . . . . 0.0 111.561 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.73 -43.24 89.63 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.181 0.446 . . . . 0.0 111.9 172.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -61.5 -39.36 90.7 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.428 1.013 . . . . 0.0 112.852 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.91 -31.1 64.43 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -67.87 -42.31 81.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.448 0.699 . . . . 0.0 112.115 170.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.98 -18.5 34.62 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.904 1.282 . . . . 0.0 114.114 -176.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -53.48 -26.65 21.42 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 pt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 176.601 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo . . . . . 0 CA--C 1.534 0.504 0 N-CA-C 112.978 0.338 . . . . 0.0 112.978 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -96.29 114.51 26.2 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.683 0.793 . . . . 0.0 110.957 -175.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -131.69 144.23 50.85 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 128.08 2.552 . . . . 0.0 110.569 -171.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.5 t -72.86 135.94 80.34 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.007 0.923 . . . . 0.0 111.814 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.55 -10.27 18.72 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.533 2.822 . . . . 0.0 113.141 172.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -116.79 -24.09 7.84 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.6 p -143.54 -176.44 4.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 120.333 1.424 . . . . 0.0 113.005 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -71.05 -1.7 13.05 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.015 1.326 . . . . 0.0 114.297 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -62.92 141.69 58.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.667 1.587 . . . . 0.0 113.668 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.73 152.61 36.92 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.461 1.504 . . . . 0.0 110.536 168.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -128.75 -25.9 2.77 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 -169.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 57.73 11.59 1.37 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.941 1.296 . . . . 0.0 114.169 -165.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.0 mt -139.92 123.48 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.356 1.463 . . . . 0.0 110.096 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -59.5 -45.45 91.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.851 1.261 . . . . 0.0 112.661 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.39 -36.03 82.36 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.145 0.978 . . . . 0.0 112.85 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -71.77 -39.72 69.78 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.612 -0.68 . . . . 0.0 111.101 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.67 -38.76 92.35 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.527 -0.733 . . . . 0.0 112.26 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -60.66 -36.03 77.72 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.965 0.906 . . . . 0.0 112.087 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.7 t -79.07 -33.34 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.158 -0.964 . . . . 0.0 112.146 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.08 -40.64 98.25 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.958 -1.088 . . . . 0.0 112.897 174.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.34 -31.93 70.77 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.906 -1.121 . . . . 0.0 112.645 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -66.45 -9.56 35.32 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -86.9 -17.83 32.31 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.162 1.385 . . . . 0.0 113.254 171.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 CA--C 1.545 0.763 0 C-N-CA 124.755 1.222 . . . . 0.0 111.436 175.894 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.82 144.19 51.04 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -169.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.2 t -68.97 145.25 53.76 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.0 1.32 . . . . 0.0 112.504 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -91.63 -9.78 42.77 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.933 1.293 . . . . 0.0 112.425 175.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -118.02 -19.55 9.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.302 1.441 . . . . 0.0 113.679 -171.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.7 p -146.93 -168.18 2.97 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.848 1.659 . . . . 0.0 111.98 172.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.0 p -85.94 1.26 50.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.783 1.633 . . . . 0.0 114.884 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -62.78 144.22 56.72 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.585 1.154 . . . . 0.0 114.103 -175.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.3 p -137.25 148.79 46.69 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.088 1.355 . . . . 0.0 112.448 170.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.3 p -145.65 166.44 25.8 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.487 1.515 . . . . 0.0 112.093 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.3 mt -92.81 12.3 24.04 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.654 1.181 . . . . 0.0 114.112 -176.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.0 t -147.61 140.38 24.81 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.064 1.346 . . . . 0.0 111.907 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -68.03 -25.07 65.2 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.014 0.926 . . . . 0.0 113.005 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.88 -42.83 76.96 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 123.71 0.671 . . . . 0.0 111.783 171.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.75 -34.99 79.12 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.956 -0.732 . . . . 0.0 111.498 172.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.1 tp -66.74 -42.75 85.74 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.654 -0.654 . . . . 0.0 112.051 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.1 -46.83 87.29 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.199 0.6 . . . . 0.0 111.099 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.15 -42.17 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.746 0.818 . . . . 0.0 111.704 175.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -59.52 -47.75 84.31 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.932 0.787 . . . . 0.0 111.995 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.62 -45.63 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 121.444 -0.785 . . . . 0.0 111.046 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -63.21 -39.31 94.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.443 0.697 . . . . 0.0 112.829 178.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -80.0 -40.98 26.77 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -98.42 -36.36 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.96 0.904 . . . . 0.0 113.005 -169.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -170.885 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 119.737 -0.173 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.0 m -136.27 136.93 40.23 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.801 0.84 . . . . 0.0 112.451 -172.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -71.78 131.81 43.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.419 1.488 . . . . 0.0 111.834 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.08 -9.68 59.46 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -105.35 -32.33 8.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -175.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.08 6.97 3.94 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.9 t30 58.15 19.32 5.99 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.242 1.817 . . . . 0.0 115.593 175.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -68.66 151.55 46.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.5 1.12 . . . . 0.0 111.508 170.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -119.41 136.99 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.19 1.396 . . . . 0.0 110.914 -174.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -134.03 148.41 51.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.588 1.955 . . . . 0.0 111.458 -172.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -77.88 -24.19 48.57 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -138.17 151.65 47.93 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.342 1.057 . . . . 0.0 112.463 -169.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.29 -45.78 93.06 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.516 1.126 . . . . 0.0 112.345 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -66.38 -33.52 75.91 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.313 0.645 . . . . 0.0 112.594 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.9 m -63.32 -43.47 97.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.521 0.728 . . . . 0.0 111.647 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.88 -45.53 81.71 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 119.019 -0.515 . . . . 0.0 111.682 171.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.77 -40.58 84.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.731 1.15 . . . . 0.0 112.911 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 -34.52 70.8 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 175.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -64.85 -45.07 87.66 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.849 -0.532 . . . . 0.0 111.942 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -56.47 -25.33 50.57 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.296 1.039 . . . . 0.0 113.282 -175.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -50.91 -32.5 20.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.632 1.173 . . . . 0.0 113.976 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt . . . . . 0 N--CA 1.474 0.767 0 CA-C-N 119.669 1.122 . . . . 0.0 112.69 178.584 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.533 0.462 0 N-CA-C 113.951 0.712 . . . . 0.0 113.951 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -100.12 82.88 2.6 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.346 0.658 . . . . 0.0 111.896 -168.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -74.25 146.03 43.58 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.657 -0.652 . . . . 0.0 111.065 171.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.72 134.5 95.31 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.286 1.034 . . . . 0.0 110.51 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -71.78 -9.82 25.45 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.156 2.571 . . . . 0.0 112.92 173.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -120.02 -22.02 6.86 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.7 p -146.2 -170.25 3.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 120.837 1.653 . . . . 0.0 113.375 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -75.23 0.96 14.74 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.488 1.515 . . . . 0.0 114.193 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -66.96 150.84 48.67 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.91 1.684 . . . . 0.0 113.104 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.22 150.82 36.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.343 1.057 . . . . 0.0 113.443 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 t -133.15 155.02 50.07 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.287 1.835 . . . . 0.0 112.597 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.35 -1.95 43.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.94 1.296 . . . . 0.0 112.74 168.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mt -135.57 129.45 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.76 1.624 . . . . 0.0 109.912 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -65.96 -33.98 77.07 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.465 0.706 . . . . 0.0 112.534 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.1 96.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.911 0.884 . . . . 0.0 112.399 172.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -67.26 -35.42 79.49 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.189 -0.945 . . . . 0.0 111.762 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.08 -33.93 77.2 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.488 -0.757 . . . . 0.0 112.18 171.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -65.47 -39.44 91.96 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 120.019 1.281 . . . . 0.0 112.486 171.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.55 -23.24 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 124.722 1.209 . . . . 0.0 112.205 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -83.49 -44.8 14.32 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.148 0.979 . . . . 0.0 113.347 169.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.55 -32.05 72.94 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.343 -1.473 . . . . 0.0 113.226 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -62.56 -13.28 29.27 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 172.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -81.63 -26.19 35.02 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.944 1.298 . . . . 0.0 112.876 170.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 . . . . . 0 N--CA 1.471 0.605 0 C-N-CA 124.493 1.117 . . . . 0.0 113.408 175.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 CA--C 1.538 0.498 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.24 144.37 50.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.169 0.987 . . . . 0.0 113.308 -170.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.3 t -69.87 145.5 51.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.485 1.514 . . . . 0.0 112.69 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -91.6 -10.2 41.36 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.155 1.382 . . . . 0.0 112.504 176.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -117.38 -22.1 8.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.315 1.446 . . . . 0.0 113.662 -171.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 p -145.24 -171.63 3.7 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.755 1.622 . . . . 0.0 112.238 174.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 m -82.25 0.93 39.05 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.24 1.416 . . . . 0.0 114.586 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -63.42 144.17 57.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.536 1.135 . . . . 0.0 114.058 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.8 p -135.87 149.01 48.86 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.595 1.558 . . . . 0.0 112.058 171.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.9 p -146.45 173.11 12.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.549 1.54 . . . . 0.0 112.101 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 72.8 mt -100.93 11.59 39.3 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -173.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.1 t -147.85 140.37 24.54 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.547 1.139 . . . . 0.0 112.334 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.76 -29.88 71.04 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.872 0.869 . . . . 0.0 112.197 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.09 -42.67 91.78 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 123.833 0.73 . . . . 0.0 112.222 171.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.89 -35.18 80.32 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.728 -0.866 . . . . 0.0 111.632 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.06 -45.59 80.8 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.506 0.722 . . . . 0.0 111.53 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.5 -47.16 82.68 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.436 0.695 . . . . 0.0 111.071 175.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 67.9 t -61.53 -44.85 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.697 0.799 . . . . 0.0 111.496 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -57.12 -47.86 80.06 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.329 0.968 . . . . 0.0 111.672 175.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.64 -47.16 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.612 -0.68 . . . . 0.0 110.846 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -57.77 -46.6 84.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.021 0.928 . . . . 0.0 112.698 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -78.1 -35.7 48.98 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 t -102.25 -34.55 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -169.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 -169.071 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 112.06 -0.416 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -67.92 145.12 54.87 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.532 1.133 . . . . 0.0 113.13 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -80.18 150.13 30.25 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.577 1.151 . . . . 0.0 112.682 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.65 173.97 31.84 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.731 1.158 . . . . 0.0 114.888 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 p -93.35 -14.12 27.27 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.089 1.356 . . . . 0.0 114.596 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -151.31 157.84 43.04 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.28 1.432 . . . . 0.0 112.869 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.63 -170.75 45.99 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.923 1.249 . . . . 0.0 114.073 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -129.5 144.0 51.07 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.393 1.477 . . . . 0.0 111.963 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -135.9 144.99 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.591 1.956 . . . . 0.0 109.125 -172.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -120.2 135.26 55.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.972 1.309 . . . . 0.0 110.536 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.2 m -133.79 136.6 44.61 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.732 0.813 . . . . 0.0 112.142 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.12 134.05 45.55 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.402 1.481 . . . . 0.0 111.687 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -85.38 -7.92 58.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -104.77 -30.48 9.87 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -135.31 5.22 3.23 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 59.83 15.95 5.27 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.553 1.941 . . . . 0.0 115.596 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -64.67 151.04 45.97 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.055 -1.028 . . . . 0.0 112.06 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.52 137.37 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.543 1.537 . . . . 0.0 110.926 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -134.57 146.08 49.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.417 1.887 . . . . 0.0 111.604 -172.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -77.04 -25.46 52.54 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.502 1.121 . . . . 0.0 113.576 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -137.35 152.59 49.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.324 1.45 . . . . 0.0 112.051 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -64.11 -34.91 79.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.552 0.741 . . . . 0.0 112.81 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -65.34 -32.85 74.71 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.637 0.653 . . . . 0.0 112.739 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 m -68.2 -40.64 82.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.443 0.697 . . . . 0.0 111.64 173.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.92 -44.04 86.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.018 0.527 . . . . 0.0 111.767 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -60.68 -39.66 89.27 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.157 -0.965 . . . . 0.0 112.613 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.1 67.79 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -66.58 -42.69 86.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.652 0.781 . . . . 0.0 112.301 173.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.4 mt -57.88 -19.8 32.0 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.507 1.123 . . . . 0.0 113.856 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -56.12 -29.36 60.55 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.786 1.235 . . . . 0.0 113.521 174.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 pt -73.9 -27.69 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.269 0.94 . . . . 0.0 112.662 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -88.01 -30.59 19.86 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.765 1.226 . . . . 0.0 112.377 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.3 p -76.07 -39.56 55.16 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.844 0.747 . . . . 0.0 111.826 169.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 46.96 44.29 14.55 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.506 1.922 . . . . 0.0 112.681 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.61 -6.85 59.39 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -167.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.73 122.37 80.33 Favored Pre-proline 0 N--CA 1.478 0.934 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.75 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -70.66 -39.51 4.72 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.957 2.438 . . . . 0.0 115.17 -169.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -93.08 87.12 5.61 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.598 0.759 . . . . 0.0 111.108 -171.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -92.33 140.96 29.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.296 1.438 . . . . 0.0 111.963 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.13 134.3 87.43 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 124.425 1.09 . . . . 0.0 110.719 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.06 -13.83 17.1 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.161 2.574 . . . . 0.0 112.45 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -102.78 -31.0 10.52 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -143.06 -176.23 4.83 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.755 1.161 . . . . 0.0 113.086 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -71.65 -0.66 11.35 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.106 1.362 . . . . 0.0 114.503 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.78 143.76 57.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.907 1.683 . . . . 0.0 113.645 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.15 154.8 43.54 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.532 1.133 . . . . 0.0 113.229 170.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -138.1 157.41 46.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.55 1.94 . . . . 0.0 112.233 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.21 -2.44 56.51 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.768 1.227 . . . . 0.0 113.451 169.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.7 mt -136.42 132.4 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.457 1.503 . . . . 0.0 110.608 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -66.07 -37.1 84.97 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.158 0.983 . . . . 0.0 112.669 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.48 -39.91 94.68 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.778 0.831 . . . . 0.0 112.118 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -68.77 -32.28 71.91 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.327 -0.858 . . . . 0.0 111.854 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.42 -37.51 87.15 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.242 -0.911 . . . . 0.0 111.671 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -64.13 -39.3 93.73 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.953 1.252 . . . . 0.0 112.521 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.38 -25.82 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.782 1.233 . . . . 0.0 112.215 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -80.56 -45.76 16.86 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.12 -36.21 76.97 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.782 -1.199 . . . . 0.0 112.708 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.61 -20.95 62.08 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -73.18 -28.32 62.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.106 0.962 . . . . 0.0 112.687 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -68.8 -10.3 55.97 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.046 0.938 . . . . 0.0 113.519 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.8 t -122.61 15.88 10.31 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.975 1.71 . . . . 0.0 112.599 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.24 -177.62 51.84 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.036 1.303 . . . . 0.0 114.073 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -139.49 137.13 35.27 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.949 1.3 . . . . 0.0 111.151 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -88.74 149.05 23.65 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.464 1.106 . . . . 0.0 112.78 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -117.33 135.18 54.03 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.937 2.095 . . . . 0.0 108.755 170.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.05 141.06 48.52 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.364 1.066 . . . . 0.0 112.938 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 36.3 t -65.69 145.54 55.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.103 1.361 . . . . 0.0 112.668 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -88.38 -10.51 49.09 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.797 1.239 . . . . 0.0 112.519 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -117.61 -22.4 8.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.24 1.416 . . . . 0.0 113.656 -171.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.8 p -146.19 -170.76 3.57 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.803 1.641 . . . . 0.0 112.196 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 m -83.68 1.77 40.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.274 1.43 . . . . 0.0 114.548 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -63.54 144.79 56.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.627 1.171 . . . . 0.0 114.06 -174.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 p -135.02 146.09 48.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.685 1.594 . . . . 0.0 111.92 170.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.8 p -145.4 172.01 13.79 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.924 1.29 . . . . 0.0 111.408 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tp -94.65 13.26 24.86 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -171.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -149.79 136.36 19.21 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.891 1.277 . . . . 0.0 112.106 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -62.87 -27.86 69.64 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 171.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.95 -44.21 69.13 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.873 0.749 . . . . 0.0 111.885 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -64.07 -36.0 82.59 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.93 -0.747 . . . . 0.0 111.39 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.75 -42.54 90.82 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.526 -0.734 . . . . 0.0 112.225 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -59.08 -40.2 84.49 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.661 -0.649 . . . . 0.0 111.325 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.46 -30.35 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.711 1.204 . . . . 0.0 112.43 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -64.92 -48.05 75.54 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.419 -1.426 . . . . 0.0 110.599 168.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.77 -46.52 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.789 0.836 . . . . 0.0 110.775 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -63.38 -27.72 69.5 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -92.19 -40.13 11.17 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.0 t -97.48 -34.37 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.023 0.929 . . . . 0.0 112.779 -169.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -116.04 -22.9 8.75 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -109.0 176.85 4.95 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.058 1.743 . . . . 0.0 111.151 170.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -85.69 143.45 28.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.367 1.067 . . . . 0.0 110.42 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.2 mt -76.35 131.11 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.225 1.01 . . . . 0.0 109.591 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.844 1.657 . . . . 0.0 112.462 -178.278 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 m -66.81 153.29 43.74 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.568 1.147 . . . . 0.0 113.163 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -106.79 168.8 8.94 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.028 1.731 . . . . 0.0 111.671 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.63 -18.72 59.47 Favored Glycine 0 CA--C 1.542 1.728 0 O-C-N 121.108 -0.995 . . . . 0.0 113.919 172.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -91.04 -7.27 52.35 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.94 1.696 . . . . 0.0 114.525 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 m -74.27 155.26 38.45 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.33 1.052 . . . . 0.0 112.812 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.71 -166.03 54.81 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.261 0.934 . . . . 0.0 114.103 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -143.31 159.63 42.0 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.579 1.552 . . . . 0.0 111.957 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.7 mt -137.22 142.49 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 127.174 2.189 . . . . 0.0 108.237 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -120.54 135.75 54.99 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.879 1.272 . . . . 0.0 110.796 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -135.0 134.59 40.64 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.459 0.704 . . . . 0.0 111.972 -170.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.5 t -74.96 127.57 33.54 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.206 1.403 . . . . 0.0 111.123 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.24 -8.49 59.76 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -102.91 -31.29 10.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.365 1.066 . . . . 0.0 113.747 -174.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 p -133.9 8.96 3.84 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 58.49 20.93 7.98 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.332 1.853 . . . . 0.0 115.55 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -73.31 151.31 41.36 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.637 1.175 . . . . 0.0 111.842 172.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.5 t -119.58 138.19 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.171 1.388 . . . . 0.0 110.764 -177.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -134.99 149.48 50.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.965 2.106 . . . . 0.0 111.114 -173.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -80.11 -27.39 39.2 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -176.238 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -131.9 154.62 49.03 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.031 0.932 . . . . 0.0 113.04 -173.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -60.32 -41.95 94.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.431 1.093 . . . . 0.0 111.974 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -66.37 -32.75 74.34 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.46 0.704 . . . . 0.0 112.793 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -65.77 -45.82 81.06 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.637 0.775 . . . . 0.0 111.414 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.86 -44.1 86.42 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 122.056 -0.403 . . . . 0.0 111.946 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -61.21 -39.37 89.98 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.537 1.062 . . . . 0.0 112.779 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.45 63.66 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -67.9 -43.73 78.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.325 0.65 . . . . 0.0 111.979 170.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.06 -21.43 45.6 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.899 1.279 . . . . 0.0 113.925 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -52.38 -28.11 18.35 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 pt -75.88 -23.94 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -100.81 -28.93 12.53 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.498 1.519 . . . . 0.0 113.556 -175.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.8 p -82.36 -87.71 0.09 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.165 0.986 . . . . 0.0 113.607 -171.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -156.53 162.57 39.92 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.809 1.244 . . . . 0.0 112.422 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -100.08 156.55 17.12 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.724 1.61 . . . . 0.0 112.314 174.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.33 128.51 82.36 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.469 1.107 . . . . 0.0 110.688 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -74.49 -39.83 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.227 2.618 . . . . 0.0 114.931 -171.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -87.41 77.01 8.96 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.779 0.8 . . . . 0.0 111.211 -171.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.28 143.59 33.53 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.77 1.628 . . . . 0.0 112.035 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.5 t -72.51 136.33 81.05 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 124.409 1.084 . . . . 0.0 111.245 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.44 -9.64 21.67 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.482 2.788 . . . . 0.0 113.093 172.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -116.8 -25.68 7.22 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -145.45 -174.46 4.4 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.386 1.448 . . . . 0.0 113.445 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -72.82 -1.21 15.79 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.313 1.445 . . . . 0.0 114.508 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.92 140.92 56.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.32 1.448 . . . . 0.0 112.983 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.08 150.23 35.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.824 1.25 . . . . 0.0 111.99 169.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -138.16 161.55 36.52 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.648 1.179 . . . . 0.0 113.446 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.7 -4.94 58.41 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.914 1.285 . . . . 0.0 112.854 169.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.0 mt -128.91 128.86 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.159 1.384 . . . . 0.0 110.71 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.78 -38.09 85.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.174 0.99 . . . . 0.0 113.065 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.13 67.86 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.629 0.772 . . . . 0.0 112.943 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -70.71 -41.68 71.59 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.146 -0.971 . . . . 0.0 110.533 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.77 -38.43 85.24 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.636 -0.665 . . . . 0.0 111.787 169.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -60.34 -43.22 96.67 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.053 0.842 . . . . 0.0 112.092 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.52 -36.09 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.643 0.777 . . . . 0.0 111.754 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -63.93 -43.05 97.03 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.453 -0.779 . . . . 0.0 112.883 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.23 -33.17 71.89 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.054 -1.029 . . . . 0.0 112.672 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 -62.5 -20.35 64.51 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.979 0.912 . . . . 0.0 113.396 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -77.73 -23.36 49.4 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.571 1.148 . . . . 0.0 113.466 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -74.63 -0.46 17.97 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.1 t -55.12 -24.82 27.92 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.534 1.534 . . . . 0.0 113.573 169.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -142.88 167.64 26.24 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.589 1.566 . . . . 0.0 112.701 171.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -150.64 159.32 44.59 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.815 1.246 . . . . 0.0 112.602 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -131.31 156.44 45.47 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.872 1.269 . . . . 0.0 112.706 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -124.03 154.25 40.16 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.301 2.241 . . . . 0.0 109.663 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.89 141.89 48.63 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.013 0.925 . . . . 0.0 112.91 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.9 t -66.32 145.34 55.84 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.858 1.263 . . . . 0.0 112.057 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -87.87 -9.76 52.77 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.583 1.153 . . . . 0.0 112.659 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -120.96 -19.8 7.1 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.034 1.334 . . . . 0.0 114.13 -170.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.73 -173.8 4.31 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.304 1.442 . . . . 0.0 112.445 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 m -79.41 0.72 28.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.338 1.455 . . . . 0.0 114.632 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.98 143.15 58.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.43 1.092 . . . . 0.0 113.513 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -130.52 152.51 49.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.069 1.348 . . . . 0.0 111.765 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 t -139.78 159.09 42.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.238 1.415 . . . . 0.0 112.084 -171.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.8 mt -90.96 -4.42 56.49 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.921 1.288 . . . . 0.0 113.387 174.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.3 t -144.29 134.19 23.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.229 1.412 . . . . 0.0 111.998 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -64.92 -26.32 68.26 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.785 0.834 . . . . 0.0 113.179 171.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.22 -47.17 54.32 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.87 0.747 . . . . 0.0 112.132 174.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -70.78 -30.05 66.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.556 -0.967 . . . . 0.0 112.196 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.71 -38.77 92.12 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.11 -0.994 . . . . 0.0 112.092 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.92 -42.72 99.42 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.376 -0.828 . . . . 0.0 111.163 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.0 -41.07 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.003 0.82 . . . . 0.0 111.724 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -58.52 -49.51 77.13 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.136 0.88 . . . . 0.0 111.84 171.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.8 -47.92 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.106 -0.997 . . . . 0.0 111.433 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -67.95 -21.34 65.1 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -102.26 -34.52 9.2 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.73 -40.23 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.283 1.033 . . . . 0.0 112.154 -172.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -102.76 -25.66 13.44 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.7 0.8 . . . . 0.0 112.846 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -109.85 165.52 11.64 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.186 1.794 . . . . 0.0 110.356 168.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 52.97 28.6 6.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.882 1.673 . . . . 0.0 114.229 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.6 tp -108.85 146.08 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 126.633 1.973 . . . . 0.0 111.424 -172.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.618 1.567 . . . . 0.0 112.082 -178.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.49 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -62.8 -24.5 67.78 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -171.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -80.45 -0.57 37.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.149 1.38 . . . . 0.0 114.029 175.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.13 137.72 5.8 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.737 1.636 . . . . 0.0 112.345 -170.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 p -155.19 160.0 40.55 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.054 1.342 . . . . 0.0 112.518 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -74.34 162.58 28.74 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.973 1.309 . . . . 0.0 113.041 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.06 166.02 48.17 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 124.337 0.97 . . . . 0.0 114.146 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -68.15 157.99 34.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.358 1.063 . . . . 0.0 113.466 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.3 mt -126.91 146.47 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.369 1.867 . . . . 0.0 109.801 -173.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -118.82 139.5 51.51 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.479 1.512 . . . . 0.0 111.001 -175.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -136.14 135.73 39.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.705 0.802 . . . . 0.0 111.988 -171.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.5 t -71.12 133.11 45.98 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.2 1.4 . . . . 0.0 111.759 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -84.26 -9.17 58.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -105.21 -31.19 9.23 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.424 1.09 . . . . 0.0 113.767 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -134.5 7.15 3.56 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 m120 59.74 14.69 4.25 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.435 1.894 . . . . 0.0 115.968 174.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -65.69 151.53 46.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.557 1.143 . . . . 0.0 111.926 171.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.15 137.02 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.36 1.464 . . . . 0.0 110.881 -174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -135.53 148.19 49.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.465 1.906 . . . . 0.0 111.721 -172.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -77.11 -28.75 54.51 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -135.14 157.39 47.05 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.478 1.111 . . . . 0.0 113.024 -174.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -59.48 -42.12 91.35 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.818 1.247 . . . . 0.0 112.131 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -67.46 -32.89 74.05 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.405 0.682 . . . . 0.0 112.768 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 m -65.36 -45.76 82.86 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.619 0.768 . . . . 0.0 111.45 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.07 -45.58 84.74 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 122.082 -0.386 . . . . 0.0 111.779 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -60.35 -38.69 84.64 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.01 -1.056 . . . . 0.0 112.878 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.93 -29.72 63.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -68.8 -43.7 75.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.796 0.838 . . . . 0.0 112.264 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.6 mt -57.79 -19.07 25.63 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.592 1.157 . . . . 0.0 113.649 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -57.03 -21.25 29.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.827 1.251 . . . . 0.0 114.361 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 pt -80.26 -24.43 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.788 1.177 . . . . 0.0 113.436 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -93.52 -21.77 19.26 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.026 1.33 . . . . 0.0 113.281 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.5 p -80.86 -177.0 6.17 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.755 1.222 . . . . 0.0 112.055 171.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -52.94 151.37 4.69 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.288 1.435 . . . . 0.0 113.148 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.06 152.01 21.01 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 175.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -132.77 80.92 60.05 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.386 1.474 . . . . 0.0 110.771 -169.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -66.78 -33.12 35.39 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.525 2.817 . . . . 0.0 114.801 -173.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -84.8 90.48 7.76 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.876 0.87 . . . . 0.0 110.849 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.39 141.55 31.14 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.319 1.448 . . . . 0.0 112.397 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.9 t -72.19 132.82 83.98 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.439 1.096 . . . . 0.0 111.042 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -78.92 -8.09 15.53 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.428 2.752 . . . . 0.0 112.975 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -110.27 -29.82 7.98 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 p -145.87 179.76 7.24 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.062 1.301 . . . . 0.0 113.314 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -75.56 42.05 0.21 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.334 1.854 . . . . 0.0 113.64 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -110.33 141.91 42.71 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.625 1.97 . . . . 0.0 112.587 -176.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.34 154.65 41.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.256 1.022 . . . . 0.0 112.525 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 t -143.22 167.52 21.93 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.843 1.657 . . . . 0.0 112.825 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.96 0.91 44.95 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.683 1.593 . . . . 0.0 113.481 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.3 mt -133.5 130.93 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.612 1.165 . . . . 0.0 111.148 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -64.55 -41.17 96.5 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.577 1.151 . . . . 0.0 113.006 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.25 83.39 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.741 0.817 . . . . 0.0 112.438 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -66.79 -40.31 88.09 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.522 -0.736 . . . . 0.0 111.63 173.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.2 -35.78 81.91 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.819 0.736 . . . . 0.0 112.167 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -62.45 -43.27 99.21 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.568 1.076 . . . . 0.0 112.118 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.98 -32.6 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 121.394 -0.816 . . . . 0.0 111.897 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -69.16 -41.73 76.85 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.415 -0.803 . . . . 0.0 112.897 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.41 -31.56 72.75 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.544 -1.348 . . . . 0.0 112.309 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -63.04 -11.68 21.03 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 170.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -83.32 -22.32 32.95 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.861 1.264 . . . . 0.0 113.323 169.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -89.95 -25.85 20.69 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.541 1.137 . . . . 0.0 113.912 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 t -73.69 158.17 35.18 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.424 0.69 . . . . 0.0 112.038 171.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.01 -175.99 41.23 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.929 0.776 . . . . 0.0 114.72 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -86.13 169.77 12.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.687 1.595 . . . . 0.0 113.303 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -76.22 157.45 32.64 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.416 1.486 . . . . 0.0 112.581 171.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -119.56 150.0 41.0 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.405 2.282 . . . . 0.0 109.453 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.34 143.05 50.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.35 1.06 . . . . 0.0 112.897 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 39.5 t -65.01 143.5 57.9 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.1 1.36 . . . . 0.0 112.104 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -87.16 -9.4 55.34 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.575 1.15 . . . . 0.0 112.58 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -119.66 -21.42 7.31 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.135 1.374 . . . . 0.0 113.772 -170.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.76 -168.19 2.91 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.57 1.548 . . . . 0.0 112.255 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.9 p -85.04 -0.03 53.08 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.704 1.602 . . . . 0.0 114.808 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -62.85 145.63 54.6 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.575 1.15 . . . . 0.0 113.792 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.4 p -135.42 152.64 51.59 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.606 1.562 . . . . 0.0 111.882 173.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.6 t -145.24 156.28 43.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.498 1.119 . . . . 0.0 111.74 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.65 -9.12 59.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.375 1.07 . . . . 0.0 112.877 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.5 m -129.33 125.57 37.0 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.326 1.45 . . . . 0.0 111.946 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.85 -31.02 70.56 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.999 0.92 . . . . 0.0 113.002 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.51 -42.08 97.65 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.721 0.676 . . . . 0.0 112.818 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -68.87 -34.87 76.17 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.534 -0.98 . . . . 0.0 111.772 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.0 tp -63.04 -40.5 97.91 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.281 -0.887 . . . . 0.0 112.021 170.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -62.72 -40.91 98.66 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.175 -0.953 . . . . 0.0 111.382 173.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.87 -41.59 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.478 0.711 . . . . 0.0 111.815 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -57.8 -44.42 86.31 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.365 0.984 . . . . 0.0 111.721 171.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.68 -45.58 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 O-C-N 121.372 -0.83 . . . . 0.0 111.245 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -64.68 -34.17 77.68 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -85.76 -37.3 19.46 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.6 t -102.01 -34.85 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.114 0.966 . . . . 0.0 112.587 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -116.62 -4.9 11.66 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -170.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -126.42 163.16 23.91 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.915 1.686 . . . . 0.0 111.886 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -137.95 158.4 44.42 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.235 1.814 . . . . 0.0 111.773 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.0 tt -143.91 147.31 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.922 1.689 . . . . 0.0 110.818 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--O 1.25 1.111 0 C-N-CA 126.045 1.738 . . . . 0.0 111.247 178.814 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -147.93 158.47 44.06 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.205 1.402 . . . . 0.0 111.657 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 m -68.52 142.71 55.18 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.699 1.2 . . . . 0.0 113.01 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.54 177.32 53.86 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.461 1.029 . . . . 0.0 113.994 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -73.37 159.69 32.94 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.654 1.182 . . . . 0.0 112.752 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -69.9 141.04 53.2 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.548 -0.72 . . . . 0.0 112.596 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.23 -0.63 88.58 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.902 1.239 . . . . 0.0 115.377 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -70.22 155.55 40.48 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.087 1.444 . . . . 0.0 113.7 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.0 mt -133.7 145.54 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.52 1.928 . . . . 0.0 109.227 -175.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -114.11 137.33 51.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.152 1.381 . . . . 0.0 111.016 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -136.31 135.51 38.98 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.684 0.793 . . . . 0.0 111.756 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.6 t -73.21 128.52 35.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.214 1.406 . . . . 0.0 111.28 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.34 -7.84 59.64 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -104.48 -31.81 9.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.39 1.076 . . . . 0.0 113.827 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.7 8.19 3.85 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.0 t30 58.4 20.18 7.13 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.443 1.897 . . . . 0.0 115.592 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -71.21 151.2 44.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.529 1.132 . . . . 0.0 111.794 171.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.65 137.5 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.287 1.435 . . . . 0.0 110.793 -175.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -135.67 148.57 48.98 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.452 1.901 . . . . 0.0 111.726 -172.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -77.49 -29.19 52.48 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -175.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -134.57 157.54 46.29 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.593 1.157 . . . . 0.0 113.08 -173.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -60.12 -42.46 94.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.564 1.145 . . . . 0.0 111.982 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -66.32 -32.11 73.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.419 0.688 . . . . 0.0 112.752 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.5 m -66.14 -45.88 79.46 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.659 0.784 . . . . 0.0 111.495 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.84 -42.7 90.17 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 122.011 -0.431 . . . . 0.0 112.014 173.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -61.6 -39.03 89.78 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.129 -0.982 . . . . 0.0 112.817 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.99 -32.79 67.57 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.681 -0.637 . . . . 0.0 112.685 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -67.11 -41.77 85.67 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.513 0.725 . . . . 0.0 112.551 171.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.8 mt -59.66 -15.68 21.05 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.942 1.297 . . . . 0.0 114.068 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -56.21 -22.52 29.8 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.938 1.295 . . . . 0.0 113.939 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 pt -84.34 -25.08 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 176.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -100.0 -27.4 13.59 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.097 1.359 . . . . 0.0 113.717 -175.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.5 p -78.13 -170.83 2.11 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.665 1.586 . . . . 0.0 113.048 -177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 68.52 149.11 0.07 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.796 2.439 . . . . 0.0 114.041 -168.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -77.34 -18.05 57.76 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -172.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.05 122.05 75.16 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 124.015 0.926 . . . . 0.0 110.183 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.89 -36.18 2.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.669 2.246 . . . . 0.0 115.788 -168.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -83.57 82.04 8.48 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.354 0.661 . . . . 0.0 111.4 -172.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.92 141.87 45.97 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.862 1.265 . . . . 0.0 111.731 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -72.06 135.81 82.43 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 124.798 1.239 . . . . 0.0 110.796 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.25 -9.34 17.67 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.618 2.879 . . . . 0.0 112.97 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -111.19 -27.95 8.48 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.3 p -141.45 -176.77 4.85 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 120.183 1.356 . . . . 0.0 112.833 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 p -73.1 0.46 11.48 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.04 143.93 57.34 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.642 1.577 . . . . 0.0 113.371 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.85 151.59 38.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.781 1.233 . . . . 0.0 111.858 169.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 t -132.84 161.91 32.93 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.219 1.408 . . . . 0.0 113.312 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.4 -4.75 56.83 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.071 1.348 . . . . 0.0 113.49 170.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.7 mt -132.23 129.69 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.49 1.116 . . . . 0.0 110.659 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -66.94 -38.21 85.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.917 0.887 . . . . 0.0 112.576 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.95 -31.45 72.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.116 0.966 . . . . 0.0 112.957 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.12 -41.46 73.9 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.369 -0.832 . . . . 0.0 111.445 172.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.5 -37.19 82.78 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.833 0.742 . . . . 0.0 111.927 171.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.0 -32.35 70.78 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.987 0.915 . . . . 0.0 112.539 175.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.9 t -84.4 -31.32 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.58 1.152 . . . . 0.0 112.198 173.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -65.3 -38.93 91.71 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.824 -1.172 . . . . 0.0 112.518 172.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.27 -30.5 71.16 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.805 -1.184 . . . . 0.0 112.681 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -65.59 -9.89 30.7 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 172.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -83.4 -19.62 35.69 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.73 1.212 . . . . 0.0 112.574 168.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -95.65 15.2 20.61 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.239 1.816 . . . . 0.0 114.138 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.8 p -72.33 -10.72 60.16 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.802 1.241 . . . . 0.0 114.087 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.7 -173.54 25.31 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 126.163 1.84 . . . . 0.0 112.301 174.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -130.3 136.53 49.24 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.041 1.337 . . . . 0.0 110.975 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -85.6 148.52 25.88 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -117.47 141.75 47.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.866 2.466 . . . . 0.0 107.96 168.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.95 142.85 50.36 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -170.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.1 t -67.05 143.44 56.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.15 1.38 . . . . 0.0 112.19 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -88.39 -9.5 52.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.671 1.188 . . . . 0.0 112.502 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -118.88 -20.44 8.17 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.147 1.379 . . . . 0.0 113.872 -169.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.6 p -148.25 -169.33 3.32 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.565 1.546 . . . . 0.0 112.232 174.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -82.5 0.74 41.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.434 1.494 . . . . 0.0 114.701 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -62.8 143.44 57.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.255 1.022 . . . . 0.0 113.742 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.1 p -138.01 150.8 47.29 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.23 1.412 . . . . 0.0 111.783 169.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.8 t -145.36 164.26 32.03 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.354 1.062 . . . . 0.0 111.96 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.55 5.58 34.89 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.048 1.339 . . . . 0.0 114.236 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 p -140.71 147.93 39.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.814 0.846 . . . . 0.0 112.968 170.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.75 -30.7 69.37 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.171 0.988 . . . . 0.0 112.003 174.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.09 -46.64 90.66 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.155 0.883 . . . . 0.0 112.828 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -67.63 -33.72 75.54 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.183 0.992 . . . . 0.0 111.588 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.3 tp -66.23 -41.16 90.45 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.454 -0.779 . . . . 0.0 112.178 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.87 -44.62 94.07 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.511 0.724 . . . . 0.0 111.117 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.8 t -61.82 -44.46 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 118.835 -0.602 . . . . 0.0 111.296 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -56.29 -48.29 76.92 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.568 1.076 . . . . 0.0 111.826 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.55 -45.94 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 121.421 -0.8 . . . . 0.0 111.267 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -71.39 -25.16 62.23 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -95.63 -33.96 12.17 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.74 -39.98 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.921 0.888 . . . . 0.0 112.375 -174.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -106.17 -23.76 12.51 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -171.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -94.08 152.43 18.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.276 1.03 . . . . 0.0 110.748 168.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -79.0 153.63 30.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.139 1.375 . . . . 0.0 111.869 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.9 tt -73.45 144.14 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.761 1.224 . . . . 0.0 111.293 175.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--O 1.252 1.189 0 C-N-CA 126.519 1.928 . . . . 0.0 111.262 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.472 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -137.33 155.01 49.93 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.127 1.371 . . . . 0.0 112.065 -175.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 m -80.01 52.16 1.47 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.696 1.599 . . . . 0.0 113.273 -176.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.76 168.69 49.29 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.006 1.289 . . . . 0.0 114.457 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -146.29 150.04 35.01 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.347 1.459 . . . . 0.0 111.789 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 m -77.28 -11.07 59.78 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.825 1.25 . . . . 0.0 113.536 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.36 -139.84 40.37 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.027 0.822 . . . . 0.0 112.584 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -127.35 142.39 51.45 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.201 1.4 . . . . 0.0 111.294 173.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -132.44 143.29 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 126.175 1.79 . . . . 0.0 109.049 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -123.06 129.97 52.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.94 1.296 . . . . 0.0 110.215 -171.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.7 m -130.61 136.41 48.84 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.699 0.8 . . . . 0.0 112.408 -169.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -71.05 130.6 41.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.26 1.424 . . . . 0.0 111.598 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.69 -7.63 59.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -106.62 -31.72 8.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.48 1.112 . . . . 0.0 113.884 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 p -133.05 6.57 3.92 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.7 15.5 4.78 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.374 1.87 . . . . 0.0 115.803 175.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -64.01 148.34 49.92 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.445 1.098 . . . . 0.0 111.762 170.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.8 t -118.25 136.11 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.343 1.457 . . . . 0.0 110.718 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -132.62 145.2 50.9 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.519 1.928 . . . . 0.0 110.997 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -79.56 -17.91 52.92 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -138.85 148.4 43.66 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.239 1.416 . . . . 0.0 111.725 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -65.3 -36.85 85.33 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -63.33 -33.24 75.1 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 m -67.15 -41.16 86.5 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.574 0.749 . . . . 0.0 111.553 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -67.06 -44.39 80.24 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 122.071 -0.393 . . . . 0.0 111.81 173.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -58.79 -41.91 87.8 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.225 0.92 . . . . 0.0 112.239 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.12 -30.69 63.81 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -68.17 -44.44 75.93 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.326 0.65 . . . . 0.0 111.9 172.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.93 -23.35 53.06 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.6 1.16 . . . . 0.0 113.749 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -50.64 -34.49 26.46 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.173 0.989 . . . . 0.0 113.597 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 pt -69.42 -25.88 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -96.29 -39.26 9.73 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.114 1.366 . . . . 0.0 112.505 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.2 p -83.22 -32.99 26.2 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -172.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -85.56 -179.04 6.82 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.033 0.933 . . . . 0.0 113.039 -173.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 67.2 6.85 5.05 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.498 2.319 . . . . 0.0 115.994 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -88.26 127.32 57.57 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.068 0.947 . . . . 0.0 109.199 168.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.93 -39.04 6.63 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.168 2.579 . . . . 0.0 114.632 -170.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.79 90.73 6.66 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.304 0.642 . . . . 0.0 110.787 -172.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -96.91 137.6 35.75 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.218 1.407 . . . . 0.0 112.61 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -74.97 126.67 87.97 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 126.182 1.793 . . . . 0.0 110.596 173.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.57 -6.89 17.4 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.042 2.495 . . . . 0.0 113.103 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -111.81 -22.17 11.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -170.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.5 p -140.18 10.4 2.34 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m 60.34 14.55 4.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.805 1.642 . . . . 0.0 115.324 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.6 152.61 21.78 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.074 1.75 . . . . 0.0 110.419 168.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.18 150.36 40.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.1 t -139.22 159.72 41.49 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.529 1.532 . . . . 0.0 113.035 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.09 -3.86 58.52 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.316 1.447 . . . . 0.0 113.44 170.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.5 mt -126.86 129.15 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.954 1.302 . . . . 0.0 110.646 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -65.57 -43.03 91.05 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.143 0.977 . . . . 0.0 112.665 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.15 72.09 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.892 0.877 . . . . 0.0 112.832 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -66.93 -41.91 86.2 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.234 -0.916 . . . . 0.0 111.423 173.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.89 -38.31 90.62 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.747 0.703 . . . . 0.0 111.644 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.8 -37.38 78.95 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.739 0.816 . . . . 0.0 112.353 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -77.07 -35.66 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.19 0.996 . . . . 0.0 111.971 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -63.4 -39.28 94.08 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.997 -1.064 . . . . 0.0 113.117 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.7 mt -62.94 -28.89 70.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.938 -1.101 . . . . 0.0 112.815 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -61.99 -17.92 58.75 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 171.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -75.96 -24.55 55.45 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.352 0.978 . . . . 0.0 112.63 171.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -89.98 75.01 7.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.239 1.415 . . . . 0.0 112.119 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.4 p -125.9 151.43 46.92 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.286 1.434 . . . . 0.0 112.353 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 155.87 170.04 20.79 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.836 1.208 . . . . 0.0 113.342 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -69.42 158.87 34.28 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.521 1.129 . . . . 0.0 112.01 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -111.62 152.51 27.55 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -169.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -123.68 142.68 50.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.508 2.323 . . . . 0.0 107.883 168.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.73 141.91 51.28 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.005 0.82 . . . . 0.0 113.076 -172.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.24 145.43 56.01 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.206 1.403 . . . . 0.0 112.341 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -86.83 -9.62 55.37 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.601 1.16 . . . . 0.0 112.634 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -121.9 -21.98 5.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.935 1.294 . . . . 0.0 114.15 -171.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.0 p -143.14 -171.7 3.53 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.262 1.425 . . . . 0.0 112.461 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.1 p -82.87 1.26 40.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.689 1.596 . . . . 0.0 114.729 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -62.62 139.86 58.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.499 1.12 . . . . 0.0 113.637 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -123.22 148.09 46.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.929 1.691 . . . . 0.0 111.614 170.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.4 t -136.51 153.99 50.86 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.304 1.442 . . . . 0.0 112.07 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.59 -7.47 59.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.268 1.427 . . . . 0.0 112.923 174.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -142.13 133.67 26.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.209 1.404 . . . . 0.0 112.114 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -65.29 -27.39 68.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.002 0.921 . . . . 0.0 112.989 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.32 -46.89 46.92 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.019 0.819 . . . . 0.0 112.049 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -69.78 -30.21 67.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.814 -0.815 . . . . 0.0 112.121 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.45 -39.48 93.89 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.262 -0.898 . . . . 0.0 112.285 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.63 -40.7 95.8 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.34 -0.85 . . . . 0.0 111.394 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 90.1 t -62.74 -43.34 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.617 0.767 . . . . 0.0 111.687 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -57.17 -47.99 79.84 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.094 0.861 . . . . 0.0 111.608 172.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.21 -50.97 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 121.612 -0.68 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -59.55 -39.81 85.2 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.989 0.915 . . . . 0.0 113.038 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -85.3 -36.54 20.78 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.5 t -95.45 -35.62 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.563 0.745 . . . . 0.0 112.452 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -119.47 -40.02 2.83 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -170.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -89.94 7.81 35.51 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -56.57 -28.44 60.21 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.207 1.403 . . . . 0.0 113.041 172.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.7 tp -76.9 -9.41 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 125.684 1.593 . . . . 0.0 114.39 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 128.031 2.533 . . . . 0.0 113.743 -177.928 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -77.05 162.99 27.07 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.933 1.293 . . . . 0.0 113.267 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 m -65.45 152.41 44.01 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.793 1.237 . . . . 0.0 113.174 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.53 -165.54 28.92 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.64 1.114 . . . . 0.0 113.379 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -68.95 157.37 36.83 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.985 0.914 . . . . 0.0 113.324 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 m -67.3 140.16 57.3 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.179 0.992 . . . . 0.0 112.668 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.14 25.81 3.53 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.195 1.379 . . . . 0.0 114.993 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.59 158.18 32.81 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.385 1.474 . . . . 0.0 112.939 -175.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 mt -140.03 135.62 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 125.624 1.57 . . . . 0.0 108.977 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -133.78 132.76 40.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.31 1.844 . . . . 0.0 109.456 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.4 m -129.17 135.61 49.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.441 0.696 . . . . 0.0 112.547 -169.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -73.53 128.76 36.38 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.24 1.416 . . . . 0.0 111.245 174.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.09 -8.81 59.58 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -103.97 -31.22 9.83 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -174.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.91 3.35 3.47 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 60.9 17.73 8.09 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.286 1.834 . . . . 0.0 115.698 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -63.45 149.41 46.1 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.04 -1.038 . . . . 0.0 111.273 168.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -123.6 138.64 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.135 1.374 . . . . 0.0 111.102 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -134.62 151.06 50.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.172 2.189 . . . . 0.0 110.976 -172.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -80.13 -27.73 39.05 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.298 1.039 . . . . 0.0 113.4 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -129.06 150.9 50.27 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.721 1.208 . . . . 0.0 112.642 -173.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.95 -41.18 97.69 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.341 1.057 . . . . 0.0 112.38 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -64.14 -33.61 76.17 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 m -66.91 -42.65 85.08 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.505 0.722 . . . . 0.0 111.721 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.4 tp -67.51 -44.32 78.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.658 0.383 . . . . 0.0 111.659 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -59.65 -40.46 87.78 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.171 0.896 . . . . 0.0 112.504 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.99 -31.89 64.8 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.29 -43.62 81.27 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.74 -0.6 . . . . 0.0 112.084 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.1 mt -59.27 -22.03 60.52 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.501 1.12 . . . . 0.0 113.934 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -52.0 -29.6 21.49 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.728 1.211 . . . . 0.0 113.985 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 pt -72.58 -34.16 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 118.467 0.576 . . . . 0.0 111.766 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -91.56 -35.8 14.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.923 1.289 . . . . 0.0 113.436 -175.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.9 p -75.33 140.07 42.85 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.508 0.723 . . . . 0.0 111.693 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -112.17 15.76 20.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -66.49 -20.08 65.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.374 1.07 . . . . 0.0 113.841 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -124.51 103.69 31.79 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 126.177 1.791 . . . . 0.0 109.372 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.93 -34.85 6.06 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.208 2.605 . . . . 0.0 114.823 -170.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -83.81 74.82 10.15 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.951 0.881 . . . . 0.0 111.345 -173.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -77.4 143.11 38.9 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.728 2.011 . . . . 0.0 111.673 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.0 t -73.14 136.17 79.39 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.36 1.064 . . . . 0.0 111.103 173.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.23 -9.22 21.7 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.385 2.723 . . . . 0.0 113.145 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -118.72 -23.76 6.92 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.6 p -145.03 -172.27 3.81 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 120.435 1.471 . . . . 0.0 112.967 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.1 p -73.94 -4.48 35.42 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -55.8 139.63 44.83 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.0 1.32 . . . . 0.0 113.173 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.15 151.31 36.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.184 1.394 . . . . 0.0 111.279 168.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t -145.45 172.59 12.98 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.239 1.015 . . . . 0.0 113.247 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.49 0.1 44.46 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.131 1.772 . . . . 0.0 113.692 175.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.3 mt -129.98 128.9 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.074 1.35 . . . . 0.0 110.317 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -66.86 -37.74 85.02 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.372 1.069 . . . . 0.0 112.99 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.89 74.4 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.471 0.708 . . . . 0.0 112.472 173.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -69.61 -39.37 77.25 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.36 -0.837 . . . . 0.0 111.302 175.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.29 -38.13 85.67 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.741 -0.599 . . . . 0.0 112.105 170.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -63.28 -44.12 95.97 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.662 1.119 . . . . 0.0 112.09 173.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.17 -23.98 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.675 1.19 . . . . 0.0 112.523 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -78.18 -43.83 27.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.48 1.112 . . . . 0.0 113.193 169.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.04 -31.2 70.84 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.746 -1.221 . . . . 0.0 112.401 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 mtp-105 -58.62 -15.53 12.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.789 1.236 . . . . 0.0 114.248 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -91.98 -14.21 29.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.682 1.593 . . . . 0.0 113.823 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -79.59 57.28 2.41 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.572 1.149 . . . . 0.0 111.815 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.7 p -129.1 13.09 6.19 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.126 2.171 . . . . 0.0 112.705 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.94 -10.64 61.92 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.326 1.441 . . . . 0.0 115.799 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -121.74 125.75 47.29 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.989 1.315 . . . . 0.0 110.431 169.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -136.0 148.49 48.44 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.56 1.544 . . . . 0.0 110.17 173.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -93.82 130.6 39.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.558 1.543 . . . . 0.0 108.828 175.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.72 141.45 47.24 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.396 1.078 . . . . 0.0 113.855 -169.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 t -68.59 143.62 54.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.09 1.356 . . . . 0.0 112.19 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.41 -8.47 50.52 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.749 1.22 . . . . 0.0 112.423 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -117.37 -22.13 8.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.254 1.422 . . . . 0.0 113.461 -169.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -146.12 -168.16 2.92 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.923 1.689 . . . . 0.0 112.236 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.9 p -84.61 1.07 47.8 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.8 1.64 . . . . 0.0 114.897 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.66 138.74 58.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.299 1.04 . . . . 0.0 113.42 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.1 p -139.55 142.63 37.19 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.201 1.4 . . . . 0.0 111.127 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.4 t -141.38 159.0 43.13 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.13 0.972 . . . . 0.0 113.009 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.55 -12.1 60.38 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.961 1.304 . . . . 0.0 113.164 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.3 t -125.24 131.92 53.04 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.141 1.376 . . . . 0.0 112.423 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -69.01 -30.69 69.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.727 1.211 . . . . 0.0 112.038 172.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.64 -43.37 85.57 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 123.879 0.752 . . . . 0.0 112.179 172.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.44 -35.51 81.17 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.684 -0.892 . . . . 0.0 111.51 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.02 -43.68 91.64 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.415 -0.803 . . . . 0.0 111.898 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -59.13 -42.54 90.86 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.659 -0.65 . . . . 0.0 111.328 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.73 -42.29 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.329 1.052 . . . . 0.0 111.854 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -57.28 -46.96 82.6 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.112 0.869 . . . . 0.0 111.434 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.82 -48.07 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 121.477 -0.764 . . . . 0.0 110.682 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -59.84 -33.49 71.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.552 1.141 . . . . 0.0 113.927 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -96.02 -35.76 11.27 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -174.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.5 t -97.07 -37.1 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.991 0.916 . . . . 0.0 112.431 -171.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -111.84 -36.22 5.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.701 0.8 . . . . 0.0 113.127 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -91.48 173.74 7.74 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.153 1.781 . . . . 0.0 110.833 169.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -108.37 142.6 38.45 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.769 1.628 . . . . 0.0 111.335 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.502 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -102.67 153.81 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.892 1.677 . . . . 0.0 111.989 176.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.073 1.749 . . . . 0.0 111.409 -179.638 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -76.22 155.64 34.27 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.655 1.182 . . . . 0.0 113.226 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 m -76.79 147.03 37.48 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.527 1.131 . . . . 0.0 112.901 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.81 -152.09 52.53 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.336 0.97 . . . . 0.0 114.396 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -147.47 160.68 42.32 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.691 1.596 . . . . 0.0 111.254 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m -133.88 150.36 51.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.294 1.438 . . . . 0.0 112.763 -172.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.58 170.19 37.06 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.827 1.203 . . . . 0.0 114.845 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -151.58 176.94 10.84 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.597 1.959 . . . . 0.0 111.753 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.7 mt -100.11 149.39 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 126.293 1.837 . . . . 0.0 109.15 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.09 139.63 52.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.56 1.544 . . . . 0.0 110.67 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.1 m -136.03 137.83 41.57 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.693 0.797 . . . . 0.0 112.384 -169.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.5 t -69.01 133.71 48.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.722 1.609 . . . . 0.0 111.942 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.43 -9.25 58.56 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.48 -31.11 9.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.414 1.086 . . . . 0.0 113.868 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -136.19 3.65 2.89 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.13 15.77 6.58 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -62.92 146.42 52.98 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.945 -1.097 . . . . 0.0 111.6 169.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -115.72 137.73 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.574 1.55 . . . . 0.0 110.927 -172.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -134.76 149.26 50.4 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.326 1.85 . . . . 0.0 111.895 -172.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -71.94 -29.35 64.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.433 1.093 . . . . 0.0 113.622 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -140.38 152.75 46.01 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.686 1.194 . . . . 0.0 111.982 -169.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -66.69 -35.92 81.29 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -66.54 -35.49 80.36 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.693 0.679 . . . . 0.0 112.212 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 m -64.09 -42.23 97.01 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.503 0.721 . . . . 0.0 111.798 173.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.41 -44.73 86.52 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.898 -0.501 . . . . 0.0 111.969 172.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -58.49 -39.66 80.61 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.949 -1.094 . . . . 0.0 112.396 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.33 -30.22 65.94 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -69.73 -44.31 70.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.494 0.717 . . . . 0.0 112.053 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.58 -18.38 29.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.888 1.275 . . . . 0.0 113.654 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -52.96 -33.76 52.56 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.968 0.907 . . . . 0.0 113.318 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 pt -70.21 -25.8 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.595 1.089 . . . . 0.0 113.107 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -96.26 -25.01 15.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.163 1.385 . . . . 0.0 113.068 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.7 p -118.74 -16.37 9.37 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -139.8 46.27 1.88 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.784 1.634 . . . . 0.0 110.919 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -69.58 160.8 30.84 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.015 1.326 . . . . 0.0 114.292 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -118.59 143.51 33.54 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 126.182 1.793 . . . . 0.0 110.391 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.84 -40.75 6.49 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.658 2.906 . . . . 0.0 115.488 -169.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -88.62 79.94 7.43 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.967 0.889 . . . . 0.0 111.072 -172.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -84.32 143.7 29.34 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.304 1.842 . . . . 0.0 111.787 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.98 135.62 80.22 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 124.31 1.044 . . . . 0.0 111.417 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -74.87 -13.02 21.82 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.408 2.739 . . . . 0.0 112.657 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -111.02 -27.32 8.82 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -173.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -143.24 -174.35 4.18 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 120.819 1.645 . . . . 0.0 113.242 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.2 p -73.16 -2.32 21.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.229 1.412 . . . . 0.0 114.404 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -61.02 140.79 57.75 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.521 1.528 . . . . 0.0 113.373 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.36 150.85 35.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.96 1.304 . . . . 0.0 111.473 168.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.5 t -137.34 160.33 39.38 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.43 1.092 . . . . 0.0 112.412 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.09 -4.94 58.88 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.085 0.954 . . . . 0.0 112.873 174.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -126.98 133.47 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.193 1.797 . . . . 0.0 110.36 -174.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.78 -38.09 82.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.158 0.983 . . . . 0.0 113.028 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.27 74.36 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.817 0.847 . . . . 0.0 112.798 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -66.28 -42.19 88.79 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.483 -0.761 . . . . 0.0 111.292 175.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.0 tp -63.87 -41.62 97.72 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.713 -0.617 . . . . 0.0 111.794 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -59.53 -38.89 82.2 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.762 -0.586 . . . . 0.0 112.399 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.4 t -72.48 -39.83 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.962 0.905 . . . . 0.0 111.652 173.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -62.43 -39.21 92.58 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.258 -0.901 . . . . 0.0 113.403 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.5 mt -60.09 -30.16 69.06 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.97 -1.081 . . . . 0.0 113.023 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -62.68 -19.45 63.87 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.253 1.021 . . . . 0.0 113.373 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -75.66 -26.8 57.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.507 1.123 . . . . 0.0 112.668 174.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -76.78 23.91 0.16 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 p -78.56 -20.81 49.77 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.917 -1.115 . . . . 0.0 112.997 169.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.49 172.29 50.65 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.933 1.254 . . . . 0.0 114.236 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -93.79 146.14 24.09 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.376 1.47 . . . . 0.0 111.58 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -85.68 143.94 28.1 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.491 1.516 . . . . 0.0 114.15 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -126.62 154.07 44.48 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.965 2.506 . . . . 0.0 109.36 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.32 141.27 46.86 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.23 142.33 56.98 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.649 1.18 . . . . 0.0 111.378 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -90.36 -6.11 55.41 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.483 1.113 . . . . 0.0 112.562 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -119.56 -21.63 7.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.004 1.322 . . . . 0.0 113.772 -169.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.5 p -145.65 -170.5 3.47 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.854 1.662 . . . . 0.0 112.234 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.2 p -80.77 -0.51 38.93 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.212 1.405 . . . . 0.0 114.776 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -63.8 141.67 58.68 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.5 p -131.52 151.7 51.36 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.37 1.468 . . . . 0.0 111.086 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.8 t -140.74 159.28 42.54 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.094 1.357 . . . . 0.0 111.378 -170.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 tp -102.7 9.05 39.4 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.67 1.188 . . . . 0.0 113.782 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.3 t -142.76 128.62 19.44 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.822 1.649 . . . . 0.0 110.975 173.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -67.55 -31.35 71.37 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.955 0.902 . . . . 0.0 112.164 176.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.59 -45.86 81.34 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.905 0.764 . . . . 0.0 112.349 174.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -68.09 -34.21 75.99 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.821 -0.811 . . . . 0.0 112.13 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.13 -40.77 96.9 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.453 -0.78 . . . . 0.0 112.099 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.93 -43.23 95.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.935 0.789 . . . . 0.0 111.118 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.4 -41.24 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.455 0.702 . . . . 0.0 111.772 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -57.58 -47.19 82.8 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.395 0.998 . . . . 0.0 111.416 171.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.69 -44.93 99.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.476 0.71 . . . . 0.0 111.206 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.69 -43.39 93.66 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.83 -33.49 30.67 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -174.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 t -99.66 -36.63 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.802 0.841 . . . . 0.0 112.54 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -115.06 -40.39 3.49 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -169.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -86.61 -2.69 58.71 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -63.74 -28.18 69.71 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.425 1.49 . . . . 0.0 113.125 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.3 mm -115.0 141.12 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.289 1.835 . . . . 0.0 109.779 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.833 1.653 . . . . 0.0 111.291 176.75 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -85.7 179.71 7.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.863 1.265 . . . . 0.0 112.847 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -70.31 -10.89 60.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.017 1.327 . . . . 0.0 114.076 169.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.68 8.05 75.92 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.417 1.008 . . . . 0.0 114.097 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -132.28 169.69 16.11 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.613 1.965 . . . . 0.0 111.878 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 p -70.72 -35.87 72.94 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.881 0.872 . . . . 0.0 112.904 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.52 163.35 26.13 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.453 1.502 . . . . 0.0 113.328 170.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -141.56 142.05 33.51 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.481 1.512 . . . . 0.0 111.141 176.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -137.7 146.11 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.281 1.833 . . . . 0.0 109.43 -170.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.88 139.33 52.56 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.28 1.432 . . . . 0.0 111.183 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.1 m -136.13 135.76 39.52 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.668 0.787 . . . . 0.0 111.939 -169.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -72.14 129.87 39.5 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.212 1.405 . . . . 0.0 111.228 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -84.31 -6.19 59.36 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.96 -31.79 8.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.471 1.108 . . . . 0.0 113.761 -174.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.79 10.45 3.96 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 59.7 14.18 3.91 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.904 2.082 . . . . 0.0 115.875 175.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -67.54 149.9 49.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.788 1.235 . . . . 0.0 112.261 174.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -118.11 137.03 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.416 1.486 . . . . 0.0 110.791 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -134.82 144.7 47.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.571 1.948 . . . . 0.0 111.31 -173.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -73.49 -29.18 62.34 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -134.54 153.89 51.72 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.954 1.302 . . . . 0.0 112.588 -173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -63.97 -37.91 89.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.623 0.769 . . . . 0.0 112.469 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -64.43 -32.0 73.44 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 m -68.81 -42.29 77.48 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.387 0.675 . . . . 0.0 111.643 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.22 -42.46 88.67 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.972 -0.455 . . . . 0.0 111.751 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.8 -38.82 86.63 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.881 0.873 . . . . 0.0 112.639 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.73 -32.46 63.87 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -67.74 -41.3 83.66 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.532 0.733 . . . . 0.0 112.322 173.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.49 -15.99 21.33 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.908 1.283 . . . . 0.0 114.041 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -61.6 -16.15 45.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.003 1.321 . . . . 0.0 114.234 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -87.03 -26.94 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.415 1.086 . . . . 0.0 113.309 173.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -93.93 -35.37 12.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.045 1.338 . . . . 0.0 112.018 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.7 p -87.26 35.63 0.71 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.541 1.936 . . . . 0.0 112.17 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -76.5 42.57 0.29 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.537 1.935 . . . . 0.0 114.919 -168.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -99.02 -18.03 17.98 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.621 1.568 . . . . 0.0 112.804 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -108.07 112.43 61.52 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 126.041 1.736 . . . . 0.0 109.967 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.8 -35.42 4.46 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.18 2.587 . . . . 0.0 114.649 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -85.47 81.68 8.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.948 0.88 . . . . 0.0 111.115 -172.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -88.1 138.14 31.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.647 1.579 . . . . 0.0 112.133 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -69.4 135.2 88.73 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.611 1.164 . . . . 0.0 111.452 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -79.27 -9.07 15.21 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.449 2.766 . . . . 0.0 113.251 172.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -115.57 -21.92 9.49 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -171.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.8 p -144.53 -171.7 3.65 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.951 1.251 . . . . 0.0 111.789 172.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 p -71.85 -11.16 60.67 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -50.84 141.49 13.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.537 1.935 . . . . 0.0 114.189 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.84 146.28 30.16 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.656 1.182 . . . . 0.0 111.76 169.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.9 p -136.96 168.6 19.27 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.654 1.182 . . . . 0.0 113.669 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.19 1.23 44.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.144 1.378 . . . . 0.0 113.705 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.0 mt -133.97 124.46 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.484 1.514 . . . . 0.0 109.797 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.04 -36.93 85.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.466 1.107 . . . . 0.0 112.7 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.24 69.16 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.08 0.952 . . . . 0.0 113.098 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -76.9 -40.74 46.3 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.398 -0.814 . . . . 0.0 110.998 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.8 tp -60.73 -39.46 88.7 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.396 -0.815 . . . . 0.0 111.68 170.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -59.32 -34.54 72.46 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.488 1.115 . . . . 0.0 113.006 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.6 t -83.01 -32.55 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.15 0.98 . . . . 0.0 112.026 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -63.1 -41.09 99.31 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.075 -1.015 . . . . 0.0 112.62 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.32 -31.35 71.21 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.883 -1.136 . . . . 0.0 112.612 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -67.18 -10.55 51.59 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -85.18 -16.99 38.51 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.816 1.246 . . . . 0.0 113.33 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -82.97 53.53 2.46 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.304 1.442 . . . . 0.0 112.511 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.8 p -87.62 146.06 25.91 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.187 1.395 . . . . 0.0 111.956 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.8 17.16 73.0 Favored Glycine 0 CA--C 1.539 1.561 0 N-CA-C 115.212 0.845 . . . . 0.0 115.212 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -73.3 167.56 20.96 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.029 1.332 . . . . 0.0 112.157 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -79.81 147.15 31.91 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.145 0.978 . . . . 0.0 113.278 175.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -123.43 148.58 46.0 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.883 2.473 . . . . 0.0 108.967 170.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.21 142.46 50.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.294 1.038 . . . . 0.0 113.422 -171.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.5 144.74 56.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.085 1.354 . . . . 0.0 112.14 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -87.24 -9.71 54.37 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.485 1.114 . . . . 0.0 112.565 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -122.51 -17.06 7.11 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.865 1.266 . . . . 0.0 114.331 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.7 p -148.58 -171.3 3.82 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.339 1.456 . . . . 0.0 112.166 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 m -81.8 1.03 36.6 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.273 1.429 . . . . 0.0 114.607 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.95 143.96 57.24 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.401 1.08 . . . . 0.0 113.696 -176.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.7 p -137.57 148.63 46.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.102 1.361 . . . . 0.0 111.713 171.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.8 t -145.7 157.98 43.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.314 1.046 . . . . 0.0 112.027 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mp -83.03 9.03 11.14 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.202 1.401 . . . . 0.0 113.441 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 t -141.09 132.52 26.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.397 1.479 . . . . 0.0 111.355 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -68.63 -26.49 65.37 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.525 0.73 . . . . 0.0 112.728 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.2 -44.14 61.13 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 123.92 0.772 . . . . 0.0 112.004 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -66.18 -34.72 78.68 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.876 -0.779 . . . . 0.0 111.567 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.59 -40.88 93.19 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.449 -0.782 . . . . 0.0 112.203 172.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -59.17 -44.25 92.15 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.79 0.723 . . . . 0.0 110.977 173.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.47 -40.75 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.849 0.859 . . . . 0.0 111.894 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -58.47 -47.57 83.6 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.442 1.019 . . . . 0.0 111.556 171.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.44 -47.01 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.611 -0.68 . . . . 0.0 110.695 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.11 -35.82 79.88 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.218 1.007 . . . . 0.0 113.328 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -85.12 -36.19 21.28 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.08 -36.3 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.139 0.976 . . . . 0.0 112.891 -170.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -115.31 -20.99 10.1 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -170.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.19 170.34 8.16 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.35 1.46 . . . . 0.0 111.814 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -103.59 144.64 31.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.697 1.599 . . . . 0.0 110.998 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.1 mm -129.63 141.64 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.031 1.733 . . . . 0.0 109.922 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.046 1.738 . . . . 0.0 111.197 178.023 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 m 61.14 168.92 0.1 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.529 1.931 . . . . 0.0 115.081 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -149.17 154.13 38.7 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.012 1.325 . . . . 0.0 111.735 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.6 168.23 54.26 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.692 1.139 . . . . 0.0 114.415 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -150.37 150.02 30.86 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.036 1.334 . . . . 0.0 111.529 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -76.18 147.28 38.55 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.724 1.21 . . . . 0.0 112.934 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.55 -177.21 44.5 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.381 0.991 . . . . 0.0 113.937 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -141.03 154.68 46.11 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.234 1.814 . . . . 0.0 111.017 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.7 mt -107.56 144.35 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 126.155 1.782 . . . . 0.0 109.591 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -130.56 139.46 50.46 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.126 1.77 . . . . 0.0 110.213 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.7 m -134.92 134.98 41.19 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.951 0.796 . . . . 0.0 112.544 -169.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.6 t -77.5 124.9 28.51 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.826 1.65 . . . . 0.0 110.893 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -81.5 -7.09 59.53 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -97.74 -30.74 12.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.091 0.956 . . . . 0.0 113.574 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.9 p -135.83 9.56 3.33 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.2 t30 58.21 23.57 10.43 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.239 1.815 . . . . 0.0 115.195 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -76.78 152.24 35.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.532 1.133 . . . . 0.0 111.692 172.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.0 t -121.86 137.81 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.234 1.414 . . . . 0.0 110.741 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -132.89 150.68 52.14 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.042 2.137 . . . . 0.0 111.35 -172.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -82.78 -18.95 38.81 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.721 1.209 . . . . 0.0 113.947 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -141.44 154.22 45.45 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.346 1.058 . . . . 0.0 112.844 -173.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -61.82 -44.22 97.28 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.59 1.156 . . . . 0.0 112.384 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -64.57 -35.65 81.67 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.318 0.647 . . . . 0.0 112.275 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -63.62 -44.23 94.54 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.353 0.661 . . . . 0.0 111.936 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.2 tp -65.95 -45.66 80.96 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.382 0.537 . . . . 0.0 111.827 172.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -60.94 -39.19 88.5 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.32 0.964 . . . . 0.0 112.964 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.51 -33.53 66.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.312 0.645 . . . . 0.0 112.67 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -65.02 -43.92 90.88 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.413 0.685 . . . . 0.0 112.107 172.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.54 -23.89 52.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.429 1.092 . . . . 0.0 113.772 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -53.41 -30.32 39.58 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.603 1.161 . . . . 0.0 113.614 175.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 pt -71.27 -26.85 27.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.945 0.793 . . . . 0.0 112.949 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -93.98 -35.83 12.44 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.017 1.327 . . . . 0.0 112.645 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.5 p -81.82 -26.28 34.47 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -91.64 152.37 20.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.105 0.962 . . . . 0.0 113.197 -177.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.23 157.68 16.02 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.887 1.675 . . . . 0.0 113.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -134.17 102.73 11.86 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 126.339 1.856 . . . . 0.0 108.29 -177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -67.06 -35.23 26.18 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.672 2.248 . . . . 0.0 115.713 -168.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -87.31 82.84 7.47 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.981 0.912 . . . . 0.0 111.921 -173.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.52 143.95 42.22 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.121 1.368 . . . . 0.0 111.562 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.8 t -73.27 136.67 78.67 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 124.42 1.088 . . . . 0.0 111.024 169.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -74.78 -9.4 21.06 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.441 2.76 . . . . 0.0 113.339 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -117.14 -24.52 7.48 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 -172.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.8 p -146.16 -175.06 4.61 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.289 1.404 . . . . 0.0 113.381 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -71.75 -1.78 15.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.498 1.519 . . . . 0.0 114.671 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -59.49 139.63 56.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.39 1.476 . . . . 0.0 112.89 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.02 146.24 28.83 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.817 1.247 . . . . 0.0 111.326 168.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -143.09 176.65 8.95 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.247 1.019 . . . . 0.0 113.44 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.25 0.11 36.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.116 1.767 . . . . 0.0 114.115 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.4 mt -134.02 129.73 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.69 1.196 . . . . 0.0 110.425 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -63.57 -38.23 90.32 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.611 1.165 . . . . 0.0 112.838 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.59 76.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.715 0.806 . . . . 0.0 112.712 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.86 -40.22 75.88 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.313 -0.867 . . . . 0.0 111.143 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.6 -39.27 90.62 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.144 0.578 . . . . 0.0 111.883 169.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -61.85 -41.54 97.95 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.074 -1.016 . . . . 0.0 112.351 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.5 t -68.81 -34.45 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.475 -0.765 . . . . 0.0 111.831 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -65.32 -41.96 93.47 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.324 -0.86 . . . . 0.0 112.884 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.8 -33.28 72.75 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.995 -1.065 . . . . 0.0 112.499 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -61.78 -17.1 54.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 172.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -83.6 -16.64 44.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.933 1.293 . . . . 0.0 113.642 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -81.3 67.39 7.22 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.449 1.1 . . . . 0.0 111.48 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.6 p -85.28 -15.98 41.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.368 1.467 . . . . 0.0 114.362 -175.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.24 9.45 86.8 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 124.388 0.994 . . . . 0.0 114.513 -172.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.66 144.91 56.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.993 1.317 . . . . 0.0 111.221 174.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -66.98 146.66 54.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.584 1.154 . . . . 0.0 113.379 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -113.51 149.45 34.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.437 2.295 . . . . 0.0 108.918 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.87 142.91 50.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.237 1.015 . . . . 0.0 113.182 -173.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -64.69 143.86 57.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.999 1.32 . . . . 0.0 111.832 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -86.84 -8.48 57.27 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.402 1.081 . . . . 0.0 112.637 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -123.1 -19.45 6.04 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.923 1.289 . . . . 0.0 114.22 -170.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.41 -171.63 3.78 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.379 1.472 . . . . 0.0 112.372 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.9 m -81.11 0.17 37.35 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.307 1.443 . . . . 0.0 114.632 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.79 145.31 56.02 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.338 1.055 . . . . 0.0 113.836 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.5 p -137.24 152.38 49.77 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.238 1.415 . . . . 0.0 111.816 171.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.7 t -145.59 154.63 42.36 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.335 1.054 . . . . 0.0 111.638 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mp -77.88 -4.83 48.71 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.22 1.008 . . . . 0.0 112.881 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.2 t -123.5 127.32 48.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.579 1.552 . . . . 0.0 111.752 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -67.52 -30.47 70.14 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.436 1.095 . . . . 0.0 111.947 172.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.42 -45.13 81.34 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.967 0.794 . . . . 0.0 112.367 174.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -67.18 -36.09 81.04 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.635 -0.921 . . . . 0.0 111.716 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.0 -38.4 90.94 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.509 -0.744 . . . . 0.0 112.311 172.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.59 -46.02 91.79 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.846 171.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.1 t -58.47 -42.53 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 119.667 1.122 . . . . 0.0 111.532 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -56.66 -47.48 79.7 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.078 0.854 . . . . 0.0 112.022 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.04 -48.04 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.106 -0.997 . . . . 0.0 111.367 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.09 -35.47 73.45 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.385 1.474 . . . . 0.0 112.782 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -91.66 -36.41 13.65 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.5 -36.61 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 118.911 0.778 . . . . 0.0 113.069 -170.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -116.76 -26.56 6.92 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -79.35 42.01 0.48 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.339 1.455 . . . . 0.0 113.774 -175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.28 137.87 45.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.934 1.294 . . . . 0.0 111.062 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.9 mm -105.16 137.62 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.259 1.424 . . . . 0.0 109.934 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.261 1.825 . . . . 0.0 111.568 -178.872 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 112.139 -0.384 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -67.18 148.63 51.54 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.496 1.118 . . . . 0.0 112.955 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -76.41 151.99 36.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.012 0.925 . . . . 0.0 112.426 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.63 162.25 27.87 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.95 1.262 . . . . 0.0 113.256 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.7 p -153.41 164.55 37.97 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.342 1.457 . . . . 0.0 112.498 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.1 m -132.42 142.89 49.46 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.394 1.477 . . . . 0.0 111.444 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.46 152.96 43.84 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.083 0.849 . . . . 0.0 113.651 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -147.03 150.7 35.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.792 1.637 . . . . 0.0 111.099 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -131.16 142.2 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.953 1.701 . . . . 0.0 109.43 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -123.31 136.79 54.85 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.728 1.611 . . . . 0.0 110.447 -175.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m -132.68 135.69 45.96 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.738 0.815 . . . . 0.0 112.172 -170.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.27 130.93 40.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.178 1.391 . . . . 0.0 111.649 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.19 -10.32 59.64 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -102.03 -30.7 11.03 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -174.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 p -135.03 3.83 3.2 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 59.43 20.68 9.04 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.245 1.818 . . . . 0.0 115.466 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -68.56 151.91 46.11 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.001 -1.062 . . . . 0.0 111.581 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.16 137.64 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.39 1.476 . . . . 0.0 111.014 -174.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -135.91 148.89 48.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.612 1.965 . . . . 0.0 111.429 -171.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -82.17 -19.67 39.44 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 -176.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -138.04 153.16 49.38 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.622 1.169 . . . . 0.0 112.813 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.56 -41.91 95.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.518 1.127 . . . . 0.0 112.152 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -66.02 -32.57 74.12 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.6 m -67.99 -42.4 80.81 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.318 0.647 . . . . 0.0 111.705 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.81 -45.73 81.23 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.265 0.484 . . . . 0.0 111.556 172.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -59.98 -38.47 82.66 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.267 -0.896 . . . . 0.0 112.776 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.42 64.65 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -66.83 -43.48 83.62 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.571 -0.706 . . . . 0.0 112.33 172.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.9 mt -57.57 -21.09 36.6 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.496 1.118 . . . . 0.0 113.558 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.33 -25.38 34.38 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.385 1.474 . . . . 0.0 114.24 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.5 pt -77.37 -30.43 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 119.206 0.912 . . . . 0.0 112.629 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -86.64 -33.63 20.06 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.751 1.22 . . . . 0.0 111.781 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.7 p -80.35 66.11 5.74 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.713 1.205 . . . . 0.0 111.006 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.27 28.74 0.19 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.491 1.517 . . . . 0.0 113.958 -173.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -81.26 1.04 34.14 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.368 1.867 . . . . 0.0 113.169 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -57.86 120.32 41.14 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 127.335 2.254 . . . . 0.0 110.194 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.93 -36.88 4.05 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.106 2.537 . . . . 0.0 114.465 -168.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -90.06 74.3 7.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 122.287 1.041 . . . . 0.0 110.72 -169.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -78.42 142.59 37.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.979 1.712 . . . . 0.0 111.16 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -70.88 136.15 85.3 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 124.01 0.924 . . . . 0.0 111.128 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.87 -9.9 21.17 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.373 2.715 . . . . 0.0 113.127 173.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -113.74 -27.97 7.61 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.0 p -144.16 -173.69 4.08 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.259 1.391 . . . . 0.0 113.402 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 p -74.85 -1.18 21.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.479 1.512 . . . . 0.0 114.808 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.85 142.41 50.59 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.792 1.637 . . . . 0.0 113.258 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.57 152.36 37.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.068 1.347 . . . . 0.0 112.151 168.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -146.55 167.03 24.71 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.979 0.911 . . . . 0.0 113.205 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.21 0.86 48.97 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.059 1.744 . . . . 0.0 113.308 172.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.39 126.12 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.089 1.355 . . . . 0.0 110.12 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -65.12 -40.55 94.64 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.033 0.933 . . . . 0.0 112.805 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.8 -28.74 69.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.857 0.863 . . . . 0.0 112.737 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -69.9 -43.44 71.74 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.481 -0.762 . . . . 0.0 110.746 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.36 -35.52 79.38 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.751 -0.593 . . . . 0.0 111.925 169.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -61.13 -47.66 85.19 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.632 1.106 . . . . 0.0 111.859 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.36 -33.06 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.092 0.957 . . . . 0.0 111.843 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.09 -44.29 76.58 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.371 -0.831 . . . . 0.0 112.913 173.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.9 mt -64.15 -29.85 70.95 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.603 -1.311 . . . . 0.0 112.578 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -61.65 -16.12 45.82 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 170.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -80.75 -34.43 34.35 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.24 1.016 . . . . 0.0 112.504 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -79.77 -34.7 39.57 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.829 1.252 . . . . 0.0 113.717 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.1 t -72.72 -16.26 61.67 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -173.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.02 -151.0 32.97 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.584 1.088 . . . . 0.0 113.641 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -67.61 131.74 46.2 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.542 1.137 . . . . 0.0 112.473 -175.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -126.35 149.46 49.17 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.993 1.717 . . . . 0.0 111.225 169.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -96.69 148.35 22.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.046 1.739 . . . . 0.0 109.434 169.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.72 139.72 51.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.076 0.95 . . . . 0.0 113.19 -170.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.4 t -68.61 144.97 54.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.91 1.284 . . . . 0.0 112.336 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.6 -9.46 49.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.672 1.189 . . . . 0.0 112.433 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -117.72 -22.26 8.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.265 1.426 . . . . 0.0 113.598 -170.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.1 p -146.43 -172.42 3.95 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.857 1.663 . . . . 0.0 112.316 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 m -82.19 2.46 31.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.278 1.431 . . . . 0.0 114.619 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.93 138.15 58.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.548 1.139 . . . . 0.0 113.456 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.1 p -138.74 140.56 38.73 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.056 1.343 . . . . 0.0 111.628 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.6 p -144.66 169.8 17.3 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.68 1.192 . . . . 0.0 113.016 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mp -86.77 -10.12 54.31 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -175.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.2 m -137.81 124.57 21.1 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.235 1.014 . . . . 0.0 112.459 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -62.96 -30.01 71.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.134 0.974 . . . . 0.0 113.333 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.1 -34.3 89.56 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 123.702 0.667 . . . . 0.0 113.455 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -75.3 -31.89 60.8 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.094 0.947 . . . . 0.0 111.909 173.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.45 -43.17 91.19 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.521 -0.737 . . . . 0.0 112.267 171.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -56.65 -45.21 81.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.455 1.102 . . . . 0.0 111.789 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 p -79.08 -25.44 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -60.28 -45.19 94.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.397 -1.44 . . . . 0.0 110.603 167.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.26 -46.11 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.029 0.532 . . . . 0.0 110.588 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.81 -36.21 81.84 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -73.78 -41.29 62.62 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.3 t -102.67 -33.87 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -168.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -117.62 -14.86 10.22 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -168.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -109.25 10.97 25.63 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -140.2 161.52 37.46 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.566 1.547 . . . . 0.0 112.611 173.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 50.8 pt -85.81 162.6 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 125.354 1.461 . . . . 0.0 112.143 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.817 1.647 . . . . 0.0 111.783 174.775 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -80.09 40.7 0.49 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.612 1.565 . . . . 0.0 113.977 -174.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -74.39 -14.89 60.92 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.231 1.413 . . . . 0.0 114.544 -172.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.29 171.46 43.34 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.174 1.369 . . . . 0.0 113.145 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -83.1 157.03 22.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.923 1.289 . . . . 0.0 113.02 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m -71.52 147.3 47.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.42 1.088 . . . . 0.0 112.819 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.25 160.44 54.05 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.074 0.845 . . . . 0.0 113.789 174.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -144.59 152.09 40.01 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.78 1.632 . . . . 0.0 111.363 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.3 mt -119.44 141.57 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 126.142 1.777 . . . . 0.0 109.265 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.53 134.78 51.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.498 1.519 . . . . 0.0 110.26 -172.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.3 m -131.69 134.76 46.28 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.576 -0.702 . . . . 0.0 112.2 -169.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.71 129.04 37.31 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.026 1.33 . . . . 0.0 111.314 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.58 -8.33 59.7 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -104.6 -31.49 9.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.435 1.094 . . . . 0.0 113.886 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 p -133.57 7.9 3.87 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.6 t30 58.15 20.06 6.68 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.438 1.895 . . . . 0.0 115.525 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -70.09 150.18 46.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.592 1.157 . . . . 0.0 111.738 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -118.97 136.46 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.21 1.404 . . . . 0.0 110.663 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -132.67 146.37 51.82 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.795 2.038 . . . . 0.0 110.863 -174.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -82.72 -13.23 56.72 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -142.05 150.84 41.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.674 1.19 . . . . 0.0 112.299 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -63.71 -42.67 97.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.281 1.032 . . . . 0.0 112.48 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -64.37 -34.97 79.38 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.361 0.664 . . . . 0.0 112.4 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -64.55 -42.33 95.75 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.33 0.652 . . . . 0.0 112.066 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.8 tp -67.16 -45.4 77.11 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.301 0.501 . . . . 0.0 111.736 172.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -60.1 -38.76 83.93 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.396 0.998 . . . . 0.0 112.739 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.05 -27.86 61.13 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -70.66 -43.42 69.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.046 0.939 . . . . 0.0 112.084 170.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.28 -20.34 41.76 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.603 1.161 . . . . 0.0 113.785 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 mtp-105 -49.28 -28.55 4.86 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.334 1.454 . . . . 0.0 114.438 170.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 pt -79.68 -25.51 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.658 1.117 . . . . 0.0 113.629 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -95.12 -22.63 17.75 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.906 1.282 . . . . 0.0 113.69 -173.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.9 p -79.13 53.83 1.52 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.371 1.468 . . . . 0.0 112.54 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.0 t30 63.01 159.05 0.08 Allowed 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.904 2.481 . . . . 0.0 114.007 -169.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.91 145.76 48.28 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.0 1.32 . . . . 0.0 112.815 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -134.74 78.47 55.21 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 125.196 1.399 . . . . 0.0 110.585 -172.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.19 -34.91 43.88 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.504 2.802 . . . . 0.0 114.707 -172.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -87.52 86.74 7.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.879 0.871 . . . . 0.0 110.856 -175.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.39 143.1 26.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.691 1.596 . . . . 0.0 112.306 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.9 t -73.17 133.34 81.38 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.329 1.052 . . . . 0.0 110.473 171.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -78.66 -8.74 15.92 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.15 2.567 . . . . 0.0 112.625 171.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -113.82 -21.58 10.6 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -171.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -144.46 -171.7 3.65 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.707 1.139 . . . . 0.0 112.516 171.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.7 p -74.37 -1.49 21.2 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.237 1.415 . . . . 0.0 114.531 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -61.77 141.45 57.89 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.563 1.545 . . . . 0.0 113.626 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.45 152.06 35.03 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.761 1.224 . . . . 0.0 111.856 169.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.3 p -141.55 175.05 9.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.958 1.303 . . . . 0.0 113.201 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.59 3.91 37.83 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.239 1.416 . . . . 0.0 113.992 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.2 mt -136.83 124.72 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.838 1.255 . . . . 0.0 110.669 -176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.95 -39.76 93.2 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.782 1.233 . . . . 0.0 113.132 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.15 77.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.567 0.747 . . . . 0.0 112.529 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -34.0 64.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.253 -0.905 . . . . 0.0 111.48 176.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.6 tp -64.49 -38.43 90.99 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.607 -0.683 . . . . 0.0 111.395 169.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -62.31 -42.87 99.73 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.324 0.966 . . . . 0.0 112.08 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.87 -35.34 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.639 0.776 . . . . 0.0 111.82 173.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.22 -44.62 79.08 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 172.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.29 -32.97 72.81 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.655 -1.278 . . . . 0.0 112.189 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -62.75 -13.38 32.15 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.707 1.203 . . . . 0.0 113.972 172.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -85.57 -18.93 31.95 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.022 1.329 . . . . 0.0 113.656 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -81.85 71.18 8.87 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.377 1.071 . . . . 0.0 111.11 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 50.0 p -131.67 151.41 51.65 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.703 1.601 . . . . 0.0 111.399 177.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.13 -150.11 22.34 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.498 1.047 . . . . 0.0 112.701 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -75.14 149.6 38.99 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.603 1.161 . . . . 0.0 110.996 172.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -77.53 147.29 35.87 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.979 1.311 . . . . 0.0 112.931 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -108.35 133.6 52.32 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.404 1.882 . . . . 0.0 108.357 169.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.48 145.19 50.2 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -168.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.9 t -69.69 145.0 52.68 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.4 1.48 . . . . 0.0 112.396 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.24 -8.16 54.03 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.911 1.285 . . . . 0.0 112.828 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -123.27 -17.09 6.7 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.9 p -148.83 -170.9 3.74 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.512 1.525 . . . . 0.0 112.315 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.5 m -81.21 2.08 29.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.436 1.494 . . . . 0.0 114.719 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.6 138.65 58.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.337 1.055 . . . . 0.0 113.407 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.9 p -137.14 150.04 47.7 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.169 1.388 . . . . 0.0 111.924 170.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.7 p -146.77 178.9 7.96 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.782 1.633 . . . . 0.0 112.36 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.2 mt -113.94 23.96 12.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.985 1.314 . . . . 0.0 112.973 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 t -153.73 137.84 16.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.794 1.238 . . . . 0.0 111.926 170.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -62.6 -25.29 68.01 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 169.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.82 -44.79 88.35 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.074 0.845 . . . . 0.0 112.104 171.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.33 -38.08 89.77 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 117.846 0.823 . . . . 0.0 111.558 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.47 -44.31 94.82 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.243 0.617 . . . . 0.0 111.973 174.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.57 -47.5 85.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.039 0.536 . . . . 0.0 111.068 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.42 -41.98 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.997 0.919 . . . . 0.0 111.524 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.24 -51.44 68.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.782 0.719 . . . . 0.0 112.192 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 98.2 mt -66.42 -44.69 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.169 -0.957 . . . . 0.0 111.099 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -62.82 -25.76 68.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.598 1.159 . . . . 0.0 113.541 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.27 -37.89 9.49 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -98.43 -35.06 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.858 0.863 . . . . 0.0 113.119 -169.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -119.97 -30.0 4.81 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -169.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -67.93 133.22 48.74 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.809 1.243 . . . . 0.0 111.3 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -145.21 164.88 29.98 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.361 1.864 . . . . 0.0 112.318 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.6 tt -89.74 152.27 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.326 1.45 . . . . 0.0 110.856 170.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt . . . . . 0 C--O 1.252 1.22 0 C-N-CA 126.411 1.884 . . . . 0.0 112.708 175.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -71.03 154.25 41.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.567 1.147 . . . . 0.0 113.244 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -133.61 153.36 51.73 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.68 1.592 . . . . 0.0 111.933 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.64 7.13 87.24 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.416 1.008 . . . . 0.0 115.411 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -65.84 -19.75 65.99 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.201 1.4 . . . . 0.0 114.511 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -88.9 19.21 4.23 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.834 1.654 . . . . 0.0 114.348 -175.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.36 155.25 36.47 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.76 1.171 . . . . 0.0 114.317 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -136.81 152.72 50.61 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.668 1.587 . . . . 0.0 112.115 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.0 mt -120.42 142.55 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 126.702 2.001 . . . . 0.0 109.104 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -121.75 135.89 54.94 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.103 1.361 . . . . 0.0 110.632 -173.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -133.74 134.97 43.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.419 0.687 . . . . 0.0 112.007 -169.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -72.97 130.55 40.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.138 1.375 . . . . 0.0 111.534 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -82.89 -8.85 59.54 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -103.85 -31.33 9.84 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.399 1.079 . . . . 0.0 113.724 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -134.18 8.01 3.7 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 58.38 20.17 7.1 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.392 1.877 . . . . 0.0 115.57 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -71.59 151.04 44.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.672 1.189 . . . . 0.0 111.804 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -118.44 137.25 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.333 1.453 . . . . 0.0 110.785 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -134.53 148.39 50.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.663 1.985 . . . . 0.0 111.381 -172.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -77.26 -23.2 51.26 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -175.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -140.47 155.48 46.66 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.419 1.088 . . . . 0.0 112.654 -172.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -58.8 -44.03 90.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.277 1.031 . . . . 0.0 111.848 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -66.01 -31.76 72.84 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 m -66.15 -45.55 80.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.625 0.77 . . . . 0.0 111.499 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 tp -65.49 -42.98 91.55 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 122.052 -0.405 . . . . 0.0 111.915 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -59.49 -41.32 89.56 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.188 0.903 . . . . 0.0 112.672 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.29 70.88 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -66.27 -42.88 87.86 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.427 0.691 . . . . 0.0 112.152 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.8 mt -57.69 -20.7 35.86 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.439 1.096 . . . . 0.0 113.646 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -58.28 -20.1 39.91 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 pt -79.18 -23.99 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.467 1.03 . . . . 0.0 113.221 173.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -98.25 -35.18 10.43 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.528 1.531 . . . . 0.0 112.718 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.5 p -78.6 162.63 26.12 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.46 1.104 . . . . 0.0 112.133 174.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -80.58 130.08 34.91 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.345 -0.847 . . . . 0.0 112.624 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -155.26 168.96 25.35 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.295 1.838 . . . . 0.0 110.896 171.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.1 119.73 44.55 Favored Pre-proline 0 N--CA 1.478 0.956 0 C-N-CA 124.775 1.23 . . . . 0.0 112.189 -173.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -79.27 -37.66 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.191 2.594 . . . . 0.0 115.017 -171.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -85.53 78.1 9.74 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.844 0.831 . . . . 0.0 111.073 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.54 145.55 28.02 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.294 1.837 . . . . 0.0 112.34 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.37 137.3 71.5 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.826 1.25 . . . . 0.0 111.029 172.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.62 -10.56 15.78 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.594 2.863 . . . . 0.0 112.952 173.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -113.25 -24.42 9.39 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -172.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.1 p -145.2 -175.42 4.69 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.271 1.396 . . . . 0.0 113.036 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -72.0 -0.64 12.1 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.306 1.442 . . . . 0.0 114.684 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -61.07 140.12 57.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.456 1.503 . . . . 0.0 113.379 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.57 152.52 38.09 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.141 1.376 . . . . 0.0 111.878 168.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t -145.72 169.97 17.44 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.454 1.101 . . . . 0.0 113.33 174.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.55 -1.04 51.33 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.037 1.735 . . . . 0.0 113.548 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.3 mt -128.4 128.29 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.066 1.346 . . . . 0.0 110.29 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -67.16 -37.35 83.6 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.504 1.121 . . . . 0.0 112.926 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.05 -30.69 71.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.489 0.716 . . . . 0.0 112.585 173.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.2 -39.92 78.34 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.094 -1.004 . . . . 0.0 111.085 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.96 -37.21 81.6 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.837 -0.54 . . . . 0.0 111.562 169.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -64.26 -36.57 84.52 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.758 -1.214 . . . . 0.0 112.83 175.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -72.85 -19.94 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.251 1.42 . . . . 0.0 112.398 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -84.74 -45.38 12.45 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.52 1.128 . . . . 0.0 113.746 170.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.04 -34.15 74.41 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.574 -1.329 . . . . 0.0 112.546 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -64.89 -9.3 20.0 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -84.68 -19.36 32.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.179 1.392 . . . . 0.0 113.135 170.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -81.65 17.64 1.41 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.129 1.372 . . . . 0.0 114.653 176.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.9 p -79.92 6.29 11.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.71 1.604 . . . . 0.0 114.364 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.37 -139.4 0.91 Allowed Glycine 0 CA--C 1.539 1.555 0 C-N-CA 126.075 1.798 . . . . 0.0 114.751 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.33 150.49 46.09 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.011 1.324 . . . . 0.0 114.019 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -109.42 159.2 17.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.048 2.139 . . . . 0.0 112.684 174.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -105.24 152.77 22.45 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.115 1.766 . . . . 0.0 110.518 176.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.54 142.71 48.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.06 0.944 . . . . 0.0 113.115 -174.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.7 t -65.98 145.16 56.22 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.958 1.303 . . . . 0.0 111.96 177.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -87.61 -9.5 54.13 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.462 1.105 . . . . 0.0 112.693 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -121.87 -19.06 6.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.918 1.287 . . . . 0.0 114.124 -169.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.35 -171.37 3.72 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.394 1.478 . . . . 0.0 112.401 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.3 p -82.47 0.83 40.48 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.789 1.636 . . . . 0.0 114.855 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -62.84 143.59 57.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.338 1.055 . . . . 0.0 113.333 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.2 p -134.69 155.39 50.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.691 1.196 . . . . 0.0 112.374 170.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.8 t -144.9 158.22 43.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.902 1.281 . . . . 0.0 112.22 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.4 mt -98.42 8.41 44.9 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.99 1.316 . . . . 0.0 113.299 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.8 t -140.05 126.31 19.99 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.684 1.594 . . . . 0.0 110.719 170.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -19.21 63.35 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 174.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.85 -46.76 28.36 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.014 0.816 . . . . 0.0 111.81 171.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -68.18 -32.13 72.16 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.749 -0.853 . . . . 0.0 111.869 174.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.35 -40.02 96.13 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.209 -0.932 . . . . 0.0 112.267 170.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.42 -41.8 97.73 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.26 -0.9 . . . . 0.0 111.215 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.3 t -63.18 -40.63 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.293 0.637 . . . . 0.0 111.858 174.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -57.32 -46.42 83.25 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.407 1.003 . . . . 0.0 111.489 171.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.81 -45.26 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 O-C-N 121.45 -0.782 . . . . 0.0 110.994 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.14 -35.3 80.12 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -84.91 -37.54 20.46 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.78 -37.01 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.858 0.863 . . . . 0.0 112.672 -170.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -111.17 -34.3 6.21 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -172.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -91.72 -173.05 3.41 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.578 1.551 . . . . 0.0 111.11 169.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -124.68 148.88 47.73 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.54 1.936 . . . . 0.0 110.032 169.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.2 mt -112.12 137.35 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.422 1.489 . . . . 0.0 109.658 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.395 1.878 . . . . 0.0 111.618 -178.728 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 p -148.41 161.42 41.63 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.352 1.461 . . . . 0.0 112.505 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m 54.88 30.45 13.89 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.742 1.617 . . . . 0.0 115.343 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.26 -179.38 48.89 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.963 1.268 . . . . 0.0 113.445 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -144.49 161.42 39.12 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.525 1.53 . . . . 0.0 112.348 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -68.37 142.42 55.46 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.435 1.094 . . . . 0.0 113.179 -176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.63 178.19 52.2 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.417 1.008 . . . . 0.0 113.821 172.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -73.6 147.43 43.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.48 1.112 . . . . 0.0 111.731 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -129.46 143.13 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.973 1.709 . . . . 0.0 109.514 -174.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -124.39 137.81 54.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.396 1.478 . . . . 0.0 110.535 -174.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 m -133.86 135.73 43.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.466 0.706 . . . . 0.0 112.062 -169.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -70.34 134.17 47.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.113 1.365 . . . . 0.0 111.871 176.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -85.13 -8.78 58.47 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -106.33 -31.71 8.48 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.449 1.1 . . . . 0.0 113.794 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -133.51 6.61 3.8 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 59.31 14.82 3.89 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.368 1.867 . . . . 0.0 115.913 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -64.16 149.81 47.0 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.502 1.121 . . . . 0.0 111.745 170.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -116.81 136.24 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.302 1.441 . . . . 0.0 110.662 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -132.89 145.19 50.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.597 1.959 . . . . 0.0 110.929 -174.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -78.48 -19.43 53.06 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -137.46 150.13 47.36 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.749 1.22 . . . . 0.0 112.347 -171.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -63.48 -42.26 98.57 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.975 0.91 . . . . 0.0 112.06 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -64.3 -35.67 81.62 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.154 0.582 . . . . 0.0 112.47 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.9 m -63.39 -43.5 97.38 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.506 0.723 . . . . 0.0 111.978 174.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.25 -45.34 80.91 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.456 0.571 . . . . 0.0 111.838 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -59.67 -39.49 84.63 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.159 -0.963 . . . . 0.0 112.807 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.4 -33.78 67.4 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -64.99 -43.54 92.24 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.515 0.726 . . . . 0.0 112.346 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.2 mt -58.2 -20.32 40.41 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -56.99 -25.39 58.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.9 1.28 . . . . 0.0 114.021 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 pt -73.54 -30.32 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.197 0.908 . . . . 0.0 112.565 176.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -87.69 -24.15 23.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.57 1.148 . . . . 0.0 112.348 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -88.01 9.95 20.65 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.354 1.461 . . . . 0.0 113.6 173.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -59.84 142.76 52.84 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.95 1.3 . . . . 0.0 113.497 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -121.66 -0.56 9.66 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.436 1.494 . . . . 0.0 114.118 172.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -78.75 136.19 59.11 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 124.553 1.141 . . . . 0.0 111.208 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.58 -39.76 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.676 2.917 . . . . 0.0 115.915 -168.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -85.38 84.75 7.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.824 0.738 . . . . 0.0 111.435 -169.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -73.73 141.15 46.36 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.131 1.372 . . . . 0.0 111.894 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -67.54 132.46 92.88 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.41 1.484 . . . . 0.0 110.618 174.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -66.28 -14.93 46.4 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.241 2.627 . . . . 0.0 113.784 170.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -113.43 -25.93 8.57 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -169.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -143.14 -172.64 3.72 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 120.349 1.431 . . . . 0.0 113.178 175.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.1 p -72.91 -3.14 23.94 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.744 1.618 . . . . 0.0 114.428 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -63.98 149.13 48.0 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.585 1.554 . . . . 0.0 113.383 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.5 144.43 28.56 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.553 1.141 . . . . 0.0 111.968 169.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.9 t -119.14 157.54 27.71 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.815 1.246 . . . . 0.0 113.369 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.87 -6.42 58.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.844 1.258 . . . . 0.0 112.774 169.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.2 mt -133.07 128.11 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.97 1.308 . . . . 0.0 110.289 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -63.88 -39.11 93.42 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.69 0.796 . . . . 0.0 112.431 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.58 -24.53 64.61 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.126 0.97 . . . . 0.0 113.475 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -75.58 -40.88 55.93 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.135 -0.978 . . . . 0.0 111.236 170.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.54 -36.26 80.08 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.592 0.633 . . . . 0.0 111.565 172.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.75 -24.63 64.2 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.745 1.218 . . . . 0.0 113.64 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.8 -36.39 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.939 1.295 . . . . 0.0 111.677 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -59.59 -39.3 83.69 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.093 -1.005 . . . . 0.0 113.097 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 mt -59.16 -29.84 67.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.024 -1.048 . . . . 0.0 112.769 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -68.3 -11.02 58.79 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.398 1.479 . . . . 0.0 113.716 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -82.81 -22.31 34.22 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.158 1.383 . . . . 0.0 112.864 172.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -81.45 54.61 2.38 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 112.948 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.7 p -112.42 5.23 18.0 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.04 1.736 . . . . 0.0 114.067 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.99 -174.24 36.02 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.741 1.162 . . . . 0.0 113.542 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -94.47 131.9 39.68 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.124 1.369 . . . . 0.0 110.856 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -83.38 149.47 26.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.753 1.221 . . . . 0.0 113.953 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -122.2 151.38 41.08 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.959 2.504 . . . . 0.0 108.981 169.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.59 146.99 47.74 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -169.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.83 149.79 49.43 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.466 1.506 . . . . 0.0 112.137 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -96.07 -2.78 45.97 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.191 1.396 . . . . 0.0 112.656 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -125.95 -17.06 5.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.592 1.157 . . . . 0.0 113.985 -172.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.51 -172.3 4.1 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.651 1.58 . . . . 0.0 112.081 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 m -80.96 2.91 24.79 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.346 1.459 . . . . 0.0 114.654 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.99 143.57 57.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.457 1.103 . . . . 0.0 113.66 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 p -137.72 148.3 45.53 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.246 1.418 . . . . 0.0 111.883 171.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.1 t -145.87 162.83 36.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.355 1.062 . . . . 0.0 112.341 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.4 mt -86.91 4.24 42.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.445 1.498 . . . . 0.0 113.855 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.0 t -137.26 132.53 33.89 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.982 1.313 . . . . 0.0 112.316 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -64.55 -33.24 75.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.443 1.097 . . . . 0.0 112.127 170.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.3 76.38 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.816 0.722 . . . . 0.0 112.036 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.37 -35.38 80.19 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.852 -0.793 . . . . 0.0 111.836 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.69 -38.83 84.22 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.567 -0.708 . . . . 0.0 112.05 174.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -60.88 -47.59 85.69 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.568 -0.708 . . . . 0.0 110.945 172.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.39 -41.87 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.634 0.652 . . . . 0.0 111.499 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -56.07 -47.52 77.8 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.076 0.853 . . . . 0.0 111.658 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.51 -45.67 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.094 -1.004 . . . . 0.0 111.303 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -67.23 -21.51 65.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -104.57 -46.86 4.24 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.71 -37.6 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.673 -0.642 . . . . 0.0 111.649 -172.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -112.51 -34.61 5.8 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -171.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -83.74 96.25 8.67 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.301 0.955 . . . . 0.0 110.316 170.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -83.58 43.89 0.93 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.717 1.207 . . . . 0.0 113.12 -171.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.5 pt -92.91 152.7 3.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 126.095 1.758 . . . . 0.0 112.053 -176.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.792 2.037 . . . . 0.0 112.796 -179.257 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -149.17 146.99 27.92 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.907 1.283 . . . . 0.0 112.064 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 m -82.93 -1.31 51.96 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.147 1.379 . . . . 0.0 113.471 173.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.62 1.22 38.42 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.501 1.524 . . . . 0.0 116.286 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -141.95 149.71 40.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.594 1.558 . . . . 0.0 111.774 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -77.03 -18.61 58.0 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.755 1.222 . . . . 0.0 113.303 171.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.61 10.66 67.48 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 124.601 1.096 . . . . 0.0 114.871 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -78.02 148.25 34.43 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 118.896 1.348 . . . . 0.0 112.082 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 51.7 mt -139.91 143.15 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.551 1.54 . . . . 0.0 110.172 -171.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -129.34 145.03 51.45 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.35 1.86 . . . . 0.0 110.618 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 m -136.1 137.17 40.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.616 0.766 . . . . 0.0 112.36 -170.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -70.23 131.53 44.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.293 1.437 . . . . 0.0 111.618 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.42 -8.55 59.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -107.36 -31.97 7.95 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.451 1.1 . . . . 0.0 113.886 -174.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -132.57 6.52 4.08 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.3 m120 59.47 15.67 4.66 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.302 1.841 . . . . 0.0 115.848 175.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -64.15 149.91 46.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.63 1.172 . . . . 0.0 111.706 170.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.23 136.38 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.217 1.407 . . . . 0.0 110.882 -174.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -134.62 146.75 49.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.679 1.992 . . . . 0.0 110.983 -173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -73.36 -37.29 66.11 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -121.98 149.13 43.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.598 1.159 . . . . 0.0 111.766 -170.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -60.9 -42.17 97.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.723 0.809 . . . . 0.0 112.11 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -66.65 -30.51 70.79 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.2 m -66.16 -42.57 88.8 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.48 0.712 . . . . 0.0 111.581 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.7 tp -66.52 -45.74 78.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 119.131 -0.461 . . . . 0.0 111.79 172.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -58.05 -40.14 80.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.585 1.084 . . . . 0.0 112.446 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.51 62.7 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -69.06 -44.7 72.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.553 0.741 . . . . 0.0 111.985 170.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.76 -19.61 42.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.387 1.075 . . . . 0.0 113.61 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 -47.19 -35.59 7.65 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.844 1.258 . . . . 0.0 114.073 170.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 pt -72.17 -23.07 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -104.74 -25.88 12.49 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.501 1.52 . . . . 0.0 113.445 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 m -107.53 17.61 22.5 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.85 1.66 . . . . 0.0 113.487 -167.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -76.89 61.96 2.01 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.475 -1.391 . . . . 0.0 112.231 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -80.19 -1.8 42.02 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.394 1.478 . . . . 0.0 114.655 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.51 130.67 84.92 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 125.477 1.511 . . . . 0.0 110.731 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.49 -38.96 4.01 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.475 2.783 . . . . 0.0 115.316 -168.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -92.7 87.82 6.03 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.507 0.67 . . . . 0.0 111.108 -169.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 97.7 mttt -92.54 142.39 27.46 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.814 1.246 . . . . 0.0 112.229 -177.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.3 t -67.36 136.94 93.57 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 125.002 1.321 . . . . 0.0 111.667 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.95 -10.31 24.55 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.318 2.679 . . . . 0.0 113.108 173.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.28 -27.88 7.46 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -145.06 -174.5 4.38 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.44 1.473 . . . . 0.0 113.683 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -72.94 -0.88 14.92 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.407 1.483 . . . . 0.0 114.423 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -59.39 141.92 53.47 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.153 1.381 . . . . 0.0 113.041 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . . . -141.86 148.97 39.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.897 1.279 . . . . 0.0 112.311 171.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p -135.84 159.2 42.39 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.644 1.178 . . . . 0.0 113.109 172.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.49 -0.77 54.43 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.653 1.181 . . . . 0.0 112.874 170.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.15 124.11 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.881 2.073 . . . . 0.0 109.305 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -62.31 -36.81 83.3 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.039 0.936 . . . . 0.0 112.854 -175.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -31.59 72.76 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.849 0.86 . . . . 0.0 112.877 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -71.93 -39.3 69.55 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.426 -0.796 . . . . 0.0 111.107 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.79 -41.48 95.79 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.632 0.651 . . . . 0.0 111.619 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -56.64 -44.87 81.72 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.254 0.622 . . . . 0.0 111.845 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.49 -39.4 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.687 0.795 . . . . 0.0 111.897 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -57.99 -37.25 73.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.403 1.001 . . . . 0.0 113.076 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.59 -29.03 68.94 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.044 -1.035 . . . . 0.0 113.292 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -62.38 -21.35 65.28 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 172.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -77.31 -19.4 56.46 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.533 1.133 . . . . 0.0 113.136 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -82.21 76.51 9.09 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.862 1.265 . . . . 0.0 110.783 169.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.9 p -81.35 50.05 1.39 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.065 2.146 . . . . 0.0 113.678 -169.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.23 35.2 60.61 Favored Glycine 0 CA--C 1.537 1.465 0 O-C-N 121.491 -0.756 . . . . 0.0 112.806 -170.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 63.71 163.63 0.12 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.464 2.306 . . . . 0.0 115.369 -169.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -129.35 154.21 47.11 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.56 1.944 . . . . 0.0 111.649 -177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -125.01 153.0 43.48 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.807 2.043 . . . . 0.0 110.023 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.69 144.35 47.74 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.03 0.932 . . . . 0.0 112.939 -174.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.5 t -65.6 145.96 55.42 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.386 1.475 . . . . 0.0 112.062 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.03 -8.09 50.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.702 1.201 . . . . 0.0 112.646 175.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -119.27 -20.51 7.9 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.28 1.432 . . . . 0.0 113.561 -170.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.12 -170.1 3.46 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.93 1.692 . . . . 0.0 112.063 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 m -83.63 1.27 43.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.329 1.452 . . . . 0.0 114.723 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -63.07 145.31 55.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.781 1.232 . . . . 0.0 114.02 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -129.8 152.43 49.3 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.013 1.725 . . . . 0.0 112.0 172.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.1 t -145.14 157.33 44.12 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.629 1.172 . . . . 0.0 111.985 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.01 -1.03 57.57 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.102 1.361 . . . . 0.0 112.667 174.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 t -138.01 128.42 26.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.756 1.622 . . . . 0.0 111.483 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -68.17 -27.54 66.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.662 0.785 . . . . 0.0 112.917 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.27 -44.32 66.39 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.95 0.786 . . . . 0.0 112.159 174.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -69.58 -33.26 72.45 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.703 -0.88 . . . . 0.0 111.891 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.73 -38.33 90.63 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.644 -0.66 . . . . 0.0 112.274 171.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.75 -40.83 93.93 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.053 0.842 . . . . 0.0 111.368 173.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.5 t -66.38 -42.42 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.161 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -53.88 -45.7 71.11 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.402 1.455 . . . . 0.0 111.578 172.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.13 -47.92 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.297 -0.877 . . . . 0.0 111.342 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -61.6 -47.7 84.27 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -92.96 -16.75 24.76 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -168.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.4 -45.14 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.185 0.994 . . . . 0.0 112.075 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -104.82 -32.01 9.03 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -169.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -105.68 18.4 22.23 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.082 1.353 . . . . 0.0 114.011 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -65.31 154.14 39.1 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.839 1.655 . . . . 0.0 113.467 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.25 161.43 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.221 1.808 . . . . 0.0 111.98 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 126.047 1.739 . . . . 0.0 111.302 177.98 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -68.34 147.46 52.09 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.442 1.097 . . . . 0.0 113.17 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -70.72 146.17 50.04 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.433 1.093 . . . . 0.0 112.901 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.7 -0.3 89.98 Favored Glycine 0 CA--C 1.539 1.562 0 N-CA-C 116.13 1.212 . . . . 0.0 116.13 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m 59.02 11.14 1.83 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 116.113 1.894 . . . . 0.0 116.113 -174.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -116.44 -4.01 11.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.023 1.729 . . . . 0.0 114.476 -176.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.63 -24.68 74.01 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 124.338 0.97 . . . . 0.0 115.149 -173.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -147.65 139.37 23.98 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.276 1.43 . . . . 0.0 111.263 171.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.2 mt -141.28 142.51 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.492 1.917 . . . . 0.0 108.328 -172.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.57 131.91 56.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.436 1.094 . . . . 0.0 110.867 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.0 m -134.64 134.74 41.51 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.764 0.826 . . . . 0.0 111.9 -170.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -71.17 131.95 44.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.131 1.372 . . . . 0.0 111.488 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.06 -7.11 59.48 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.09 -31.59 8.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.549 1.139 . . . . 0.0 113.903 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -133.49 9.31 3.98 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 59.47 13.52 3.3 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.801 2.041 . . . . 0.0 115.824 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -65.86 149.45 50.17 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.719 1.208 . . . . 0.0 111.927 173.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.42 138.04 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.195 1.398 . . . . 0.0 110.88 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -133.37 145.65 50.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.79 2.036 . . . . 0.0 110.984 -173.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.42 -28.8 62.19 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.237 1.015 . . . . 0.0 113.302 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -134.55 153.58 51.88 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.692 1.197 . . . . 0.0 113.038 -170.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -61.5 -45.38 94.47 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.6 1.16 . . . . 0.0 112.408 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -63.28 -35.15 79.41 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.227 0.611 . . . . 0.0 112.485 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 m -63.77 -43.02 97.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.536 0.734 . . . . 0.0 111.952 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 tp -67.38 -44.72 78.26 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.21 0.459 . . . . 0.0 111.942 172.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -57.99 -41.02 82.13 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.428 -0.795 . . . . 0.0 112.61 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.82 -34.0 68.96 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -66.05 -42.77 89.08 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.433 0.693 . . . . 0.0 112.213 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.12 -19.7 47.05 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -59.0 -22.38 60.54 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.81 1.244 . . . . 0.0 114.163 176.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 pt -76.72 -29.33 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 119.312 0.96 . . . . 0.0 112.834 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -86.92 -20.18 27.75 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.412 1.085 . . . . 0.0 113.155 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.6 p -86.14 13.66 7.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.244 1.418 . . . . 0.0 113.572 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -79.14 59.77 2.83 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.632 1.573 . . . . 0.0 112.397 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.94 30.81 6.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.064 1.746 . . . . 0.0 111.962 -175.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.07 125.56 89.48 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 125.082 1.353 . . . . 0.0 112.439 -169.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -79.93 -36.2 0.61 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.315 2.677 . . . . 0.0 115.302 -173.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -82.23 79.28 8.76 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.852 0.834 . . . . 0.0 111.401 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -84.78 141.58 30.41 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.073 1.749 . . . . 0.0 111.507 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.1 t -70.78 136.62 85.44 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.404 1.082 . . . . 0.0 111.572 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -73.08 -9.9 23.93 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 123.405 2.737 . . . . 0.0 113.131 171.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -117.17 -25.15 7.22 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.7 p -145.18 -172.22 3.82 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.531 1.514 . . . . 0.0 113.631 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.9 p -76.57 -0.53 23.58 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.625 1.57 . . . . 0.0 114.65 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -57.28 139.69 52.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.345 1.458 . . . . 0.0 112.875 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.87 148.37 33.87 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.143 1.377 . . . . 0.0 112.001 169.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 t -145.47 175.96 9.95 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.236 1.015 . . . . 0.0 113.474 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.41 -0.75 42.98 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.964 1.706 . . . . 0.0 114.016 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 mt -135.99 131.64 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.939 1.296 . . . . 0.0 110.442 -177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -62.74 -39.39 93.96 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.11 0.964 . . . . 0.0 112.574 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.61 74.87 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.598 0.759 . . . . 0.0 112.608 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -70.52 -37.6 74.15 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.115 -0.991 . . . . 0.0 111.351 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.24 -36.32 83.27 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.612 -0.68 . . . . 0.0 112.141 169.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -62.99 -41.83 99.68 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.896 -1.127 . . . . 0.0 111.688 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.0 -24.43 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.079 1.352 . . . . 0.0 112.436 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -79.16 -42.43 26.16 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 171.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -60.9 -35.25 76.18 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.656 -1.277 . . . . 0.0 112.617 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -66.37 -8.82 28.01 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -87.99 -11.02 48.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.453 1.501 . . . . 0.0 113.638 171.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -77.7 -16.21 58.63 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.7 t -89.16 164.75 14.87 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.49 1.041 . . . . 0.0 112.239 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.2 176.76 51.22 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.098 1.332 . . . . 0.0 115.205 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -70.84 144.43 50.75 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.618 1.967 . . . . 0.0 112.005 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -130.41 152.86 49.35 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.314 1.446 . . . . 0.0 113.977 -169.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -120.11 142.81 48.56 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.387 2.275 . . . . 0.0 108.238 168.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.3 141.77 49.71 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.045 0.938 . . . . 0.0 113.321 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.1 t -65.99 145.86 55.38 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.99 1.316 . . . . 0.0 112.344 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -88.07 -10.28 50.68 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.717 1.207 . . . . 0.0 112.611 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -119.95 -20.68 7.41 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.034 1.334 . . . . 0.0 113.995 -170.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.5 p -146.74 -172.88 4.08 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.497 1.519 . . . . 0.0 112.405 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 m -80.55 0.9 31.86 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.184 1.393 . . . . 0.0 114.609 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -63.02 144.68 56.67 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.505 1.122 . . . . 0.0 113.724 -176.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.6 p -134.85 152.85 52.09 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.21 1.404 . . . . 0.0 111.662 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.4 t -144.02 158.6 43.61 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.286 1.034 . . . . 0.0 112.279 177.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.57 -3.54 50.69 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.688 1.595 . . . . 0.0 113.409 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 t -134.27 131.43 38.44 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.193 1.397 . . . . 0.0 111.942 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -21.27 63.21 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 171.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.23 -44.52 28.4 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.104 0.859 . . . . 0.0 111.797 173.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -66.73 -34.67 78.36 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.818 -0.813 . . . . 0.0 111.594 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.0 -40.45 96.38 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.515 -0.741 . . . . 0.0 112.386 173.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.27 -43.01 92.54 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.542 -0.724 . . . . 0.0 111.247 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.73 -40.53 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.311 0.644 . . . . 0.0 111.858 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -55.51 -45.68 77.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.544 1.066 . . . . 0.0 111.224 172.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.55 -47.37 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.408 -0.807 . . . . 0.0 110.728 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.59 -20.9 65.43 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.057 1.502 . . . . 0.0 115.057 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -103.23 -36.97 7.89 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -92.48 -36.92 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.664 0.786 . . . . 0.0 112.278 -174.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -114.08 -32.16 6.12 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -169.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -78.46 81.99 4.76 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.351 0.978 . . . . 0.0 110.062 170.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -78.03 52.79 1.11 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.74 2.016 . . . . 0.0 113.808 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.8 pt -75.31 156.15 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.172 1.389 . . . . 0.0 112.064 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt . . . . . 0 C--O 1.252 1.207 0 C-N-CA 126.613 1.965 . . . . 0.0 112.794 178.916 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 112.06 -0.416 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m -67.73 149.61 49.74 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.546 1.138 . . . . 0.0 113.024 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.2 p -79.46 -9.79 59.68 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.936 1.294 . . . . 0.0 114.346 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.72 -168.76 32.93 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.847 1.689 . . . . 0.0 112.534 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -76.47 -20.59 56.84 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 m 54.56 26.42 7.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.968 1.707 . . . . 0.0 114.632 -175.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.97 151.47 52.47 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.347 0.975 . . . . 0.0 113.622 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -145.48 151.19 37.79 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.435 1.494 . . . . 0.0 112.582 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.5 mt -137.57 143.19 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 126.524 1.93 . . . . 0.0 109.139 -172.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -120.02 109.23 15.25 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.28 1.032 . . . . 0.0 111.566 -170.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 m -120.66 135.69 55.05 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.124 0.97 . . . . 0.0 112.261 -174.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.47 130.83 44.03 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.948 2.099 . . . . 0.0 111.588 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.89 -8.14 59.66 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -105.49 -32.58 8.46 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.317 1.047 . . . . 0.0 113.785 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -133.09 7.04 3.94 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.9 t30 59.29 16.31 4.91 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.474 1.91 . . . . 0.0 115.73 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -68.58 144.35 54.57 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.994 -1.066 . . . . 0.0 110.868 169.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 p -125.17 138.87 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.345 1.058 . . . . 0.0 112.308 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -130.11 148.6 51.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.704 2.401 . . . . 0.0 110.38 -169.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -78.99 -17.7 54.94 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -177.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -136.94 151.28 48.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.757 1.223 . . . . 0.0 112.662 -171.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -62.46 -44.75 95.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.355 1.062 . . . . 0.0 112.482 -177.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -63.44 -36.84 85.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.43 0.692 . . . . 0.0 112.434 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.1 m -63.53 -42.7 98.41 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.583 0.753 . . . . 0.0 112.111 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -69.04 -46.03 68.92 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.34 0.518 . . . . 0.0 111.744 172.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -60.58 -37.46 81.4 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.383 0.992 . . . . 0.0 112.97 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.4 61.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -64.92 -44.46 89.44 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.604 0.638 . . . . 0.0 112.093 171.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.65 -24.11 54.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.523 1.129 . . . . 0.0 113.633 -175.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -51.53 -30.75 21.61 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.207 1.403 . . . . 0.0 114.051 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 pt -71.82 -23.86 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -100.98 -38.54 8.16 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.527 1.531 . . . . 0.0 112.496 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.1 p -80.8 -16.01 54.9 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -171.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -129.46 125.99 37.7 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.553 1.141 . . . . 0.0 111.469 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -131.56 11.3 4.85 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.712 1.605 . . . . 0.0 112.57 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -75.21 133.48 74.99 Favored Pre-proline 0 CA--C 1.546 0.826 0 O-C-N 120.906 -1.121 . . . . 0.0 112.0 -171.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -76.11 -40.13 0.73 Allowed 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.472 2.781 . . . . 0.0 114.896 -174.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -87.42 83.64 7.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.554 0.692 . . . . 0.0 110.786 -172.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -89.33 144.58 25.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.11 1.764 . . . . 0.0 112.354 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.7 t -75.05 137.1 72.66 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.887 1.275 . . . . 0.0 111.437 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.76 -14.87 15.47 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.628 2.885 . . . . 0.0 112.909 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -107.19 -27.34 10.62 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -173.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.5 p -144.62 -175.62 4.73 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.255 1.389 . . . . 0.0 113.135 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -71.95 -1.17 13.5 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.341 1.456 . . . . 0.0 114.625 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -61.05 141.05 57.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.731 1.612 . . . . 0.0 113.611 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.66 151.13 35.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.069 1.348 . . . . 0.0 112.009 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t -142.13 165.09 28.4 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.369 1.068 . . . . 0.0 113.322 174.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.15 -6.53 59.29 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.134 1.374 . . . . 0.0 113.542 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.7 mm -125.23 133.57 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.584 1.554 . . . . 0.0 110.888 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.82 -37.56 84.75 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.816 0.846 . . . . 0.0 112.463 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.15 86.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.72 0.808 . . . . 0.0 112.682 173.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -61.48 -43.45 98.85 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.582 1.083 . . . . 0.0 111.448 172.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 tp -62.83 -36.8 84.39 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.812 -0.555 . . . . 0.0 112.262 174.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -64.38 -42.65 96.05 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.91 1.232 . . . . 0.0 112.588 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.2 -23.63 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.884 1.274 . . . . 0.0 112.126 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -83.07 -44.16 15.48 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.573 1.149 . . . . 0.0 113.715 172.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.43 -33.03 73.99 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.52 -1.363 . . . . 0.0 112.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -65.08 -12.08 46.73 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 173.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -80.84 -19.67 44.08 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.918 1.287 . . . . 0.0 112.783 169.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -89.61 25.14 2.08 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.949 1.7 . . . . 0.0 114.491 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 p -69.15 134.23 49.03 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.279 -1.513 . . . . 0.0 111.685 171.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.72 21.31 77.88 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 115.366 0.906 . . . . 0.0 115.366 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.33 167.59 20.68 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.291 1.436 . . . . 0.0 113.252 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -69.8 147.25 50.66 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.176 1.39 . . . . 0.0 112.639 170.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -123.98 133.96 53.57 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.632 2.373 . . . . 0.0 107.774 169.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.59 145.04 46.76 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -169.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.0 t -70.94 146.97 49.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.026 1.33 . . . . 0.0 112.419 176.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -93.86 -9.96 35.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.223 1.409 . . . . 0.0 112.509 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -117.7 -17.96 9.77 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.327 1.451 . . . . 0.0 113.617 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 p -148.56 -173.58 4.37 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.893 1.677 . . . . 0.0 111.934 171.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.2 m -80.94 1.86 29.25 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.262 1.425 . . . . 0.0 114.577 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.93 146.2 54.48 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.7 p -136.03 152.86 51.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.763 1.225 . . . . 0.0 111.985 168.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 27.1 p -144.01 -177.42 5.43 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.345 1.858 . . . . 0.0 110.452 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.79 15.3 21.97 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -174.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -152.8 142.24 21.69 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.615 1.166 . . . . 0.0 112.171 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -60.41 -28.35 68.18 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.772 0.829 . . . . 0.0 112.959 169.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.81 -42.49 78.84 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 123.8 0.714 . . . . 0.0 112.262 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.79 -34.44 78.17 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.696 -0.885 . . . . 0.0 111.569 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.11 -44.59 79.54 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 111.84 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -58.89 -43.26 90.91 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.103 0.961 . . . . 0.0 111.49 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.94 -41.59 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.224 1.01 . . . . 0.0 112.115 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -58.52 -46.89 85.81 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.289 0.95 . . . . 0.0 111.689 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.0 -44.85 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 121.599 -0.688 . . . . 0.0 110.511 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.73 -33.3 73.8 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -89.9 -36.38 15.07 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -102.56 -34.65 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -169.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -119.09 -32.01 4.56 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -169.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -73.96 133.38 43.02 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.649 1.18 . . . . 0.0 111.376 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -78.09 155.44 30.56 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.755 1.222 . . . . 0.0 113.031 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.7 tp -102.58 -7.77 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.75 1.62 . . . . 0.0 113.632 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.434 1.893 . . . . 0.0 112.321 -175.491 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m 61.95 163.36 0.08 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.859 2.064 . . . . 0.0 115.401 -175.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -71.12 142.83 50.75 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.427 1.091 . . . . 0.0 112.71 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.23 158.67 49.6 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.228 0.918 . . . . 0.0 113.465 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 m -71.83 145.75 48.42 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.258 1.023 . . . . 0.0 112.371 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 m -76.7 143.08 40.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.07 0.948 . . . . 0.0 112.575 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 -169.85 43.13 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.505 1.05 . . . . 0.0 115.001 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -76.53 150.26 36.59 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.896 1.278 . . . . 0.0 111.478 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.7 mt -114.9 139.15 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.64 1.576 . . . . 0.0 109.382 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.9 133.63 53.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.016 1.326 . . . . 0.0 110.427 -172.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.8 m -131.5 135.04 46.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.526 0.73 . . . . 0.0 112.364 -169.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -73.87 133.96 43.21 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.309 1.443 . . . . 0.0 111.962 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.28 -10.16 58.69 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -104.23 -32.25 9.2 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -174.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -132.29 3.68 3.98 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.1 t30 58.78 20.37 7.86 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.216 1.806 . . . . 0.0 115.331 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -68.23 152.42 45.49 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.157 -0.964 . . . . 0.0 111.525 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.63 137.73 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.279 1.432 . . . . 0.0 110.755 -176.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -132.89 146.45 51.81 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.711 2.005 . . . . 0.0 111.277 -172.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -79.22 -21.39 46.32 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.86 1.264 . . . . 0.0 113.617 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -137.75 151.83 48.59 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.627 1.171 . . . . 0.0 112.558 -173.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.42 -42.6 95.95 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.096 0.959 . . . . 0.0 112.445 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -63.29 -35.7 81.23 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.28 0.632 . . . . 0.0 112.36 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.1 m -63.41 -43.25 98.05 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.555 0.742 . . . . 0.0 111.89 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.8 -45.87 77.0 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.518 0.599 . . . . 0.0 111.873 172.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -59.29 -40.16 85.27 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.15 0.886 . . . . 0.0 112.584 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.46 -34.88 68.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.314 0.646 . . . . 0.0 112.635 174.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -64.79 -44.04 91.24 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.373 0.669 . . . . 0.0 112.074 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.02 -23.63 54.99 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.984 0.913 . . . . 0.0 113.393 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -63.57 -20.73 65.88 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 pt -70.32 -25.65 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.685 1.13 . . . . 0.0 112.489 173.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -98.88 -44.15 6.47 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.358 1.463 . . . . 0.0 112.389 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -90.97 -8.6 48.76 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -170.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -126.77 145.21 50.7 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.543 1.137 . . . . 0.0 111.449 172.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -72.57 128.9 36.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.469 1.108 . . . . 0.0 111.035 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -139.45 135.9 17.38 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 125.0 1.32 . . . . 0.0 111.228 -177.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -73.0 -45.19 0.48 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.388 2.725 . . . . 0.0 114.728 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -91.55 83.35 5.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.861 0.755 . . . . 0.0 112.348 -169.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.29 145.17 44.18 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.29 1.036 . . . . 0.0 111.766 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.6 t -71.07 137.87 84.76 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.06 1.344 . . . . 0.0 111.003 169.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -75.73 -9.96 19.9 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.467 2.778 . . . . 0.0 113.131 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -113.61 -27.73 7.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -174.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.8 p -143.34 -173.49 3.95 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 120.155 1.343 . . . . 0.0 113.283 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -72.09 -7.84 51.25 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.282 1.433 . . . . 0.0 114.527 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -54.79 140.43 36.34 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.842 1.657 . . . . 0.0 113.413 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.98 150.38 36.83 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.567 1.147 . . . . 0.0 111.866 168.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -134.88 159.35 41.69 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.867 1.267 . . . . 0.0 113.17 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.4 -6.63 58.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.895 1.278 . . . . 0.0 112.912 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.5 mt -128.26 126.08 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.092 1.357 . . . . 0.0 110.291 -174.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -67.27 -34.67 77.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.929 0.892 . . . . 0.0 112.536 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.43 73.87 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.057 0.943 . . . . 0.0 112.766 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -71.38 -39.34 71.27 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.606 -0.684 . . . . 0.0 111.281 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.5 -38.92 89.08 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.422 -0.799 . . . . 0.0 111.614 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -66.96 -12.49 59.82 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 174.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.3 t -95.47 -38.0 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.899 1.28 . . . . 0.0 110.916 168.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.33 -40.05 96.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.287 1.035 . . . . 0.0 113.617 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -59.11 -28.45 66.54 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.158 -0.964 . . . . 0.0 113.171 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -62.06 -22.92 66.16 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.565 1.146 . . . . 0.0 112.826 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -76.94 -19.79 56.95 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.709 1.204 . . . . 0.0 112.999 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -88.18 12.32 14.09 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.303 1.441 . . . . 0.0 114.35 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 t -134.19 151.0 51.11 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.651 1.18 . . . . 0.0 112.272 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.61 -5.95 57.55 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.055 1.312 . . . . 0.0 114.473 171.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -149.6 155.3 40.06 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.036 1.418 . . . . 0.0 114.32 -173.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -141.01 159.98 41.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.369 1.868 . . . . 0.0 111.352 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -113.19 146.15 39.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.076 1.75 . . . . 0.0 110.067 172.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.13 144.21 42.9 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.962 0.905 . . . . 0.0 113.319 -169.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.8 t -71.17 148.08 47.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.198 1.399 . . . . 0.0 112.737 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -95.07 -10.1 31.73 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.328 1.451 . . . . 0.0 112.525 175.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -116.95 -19.81 9.65 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.246 1.419 . . . . 0.0 113.633 -171.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.4 p -146.18 -170.19 3.43 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.8 1.64 . . . . 0.0 111.875 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 p -84.41 1.38 45.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.664 1.586 . . . . 0.0 114.812 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.97 144.84 56.46 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.3 p -138.57 150.43 46.32 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.047 1.339 . . . . 0.0 112.401 171.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.8 p -145.97 173.34 12.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.607 1.563 . . . . 0.0 112.493 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.27 7.44 45.67 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.6 t -144.55 141.68 29.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.039 1.336 . . . . 0.0 112.13 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.15 -29.61 68.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.453 1.101 . . . . 0.0 112.33 172.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.34 -42.64 93.89 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 123.703 0.668 . . . . 0.0 111.784 171.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -65.14 -36.11 83.22 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.794 -0.827 . . . . 0.0 111.666 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.45 -42.73 95.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.433 0.693 . . . . 0.0 111.706 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -58.92 -48.02 82.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.156 0.583 . . . . 0.0 110.779 174.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.89 -42.06 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 118.67 0.668 . . . . 0.0 111.559 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -57.32 -49.43 76.13 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.367 0.985 . . . . 0.0 111.806 174.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.31 -44.82 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.059 -1.026 . . . . 0.0 111.231 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -74.43 -17.57 60.77 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -107.01 -30.39 8.85 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 175.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.72 -39.83 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 119.43 1.014 . . . . 0.0 112.171 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -102.75 -22.17 13.96 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -84.03 151.06 25.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.435 1.094 . . . . 0.0 111.007 167.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -107.48 -1.1 21.72 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.054 1.742 . . . . 0.0 115.034 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 pp -86.4 162.92 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.533 1.533 . . . . 0.0 113.352 -175.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.7 tttt . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.593 1.957 . . . . 0.0 111.313 -178.695 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 62.35 -17.8 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -148.3 160.6 42.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.807 1.643 . . . . 0.0 112.077 174.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.42 -165.45 49.69 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.239 0.923 . . . . 0.0 114.245 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -152.48 172.55 16.36 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.151 1.38 . . . . 0.0 112.24 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -71.52 -13.53 61.83 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 171.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.2 36.74 1.52 Allowed Glycine 0 CA--C 1.539 1.568 0 C-N-CA 126.163 1.839 . . . . 0.0 115.043 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -67.7 148.15 51.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.181 1.392 . . . . 0.0 112.628 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.1 mt -121.63 143.87 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.698 1.999 . . . . 0.0 108.964 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -121.29 135.16 55.15 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.098 1.359 . . . . 0.0 110.56 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -133.84 134.36 42.7 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.489 0.715 . . . . 0.0 111.935 -169.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 t -72.58 130.71 41.23 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.982 1.313 . . . . 0.0 111.467 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.37 -7.99 59.48 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -104.54 -31.4 9.46 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.521 1.128 . . . . 0.0 113.86 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 p -133.69 7.37 3.8 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.28 18.36 6.58 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.35 1.86 . . . . 0.0 115.344 175.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -69.31 150.6 47.19 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.959 -1.088 . . . . 0.0 111.795 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.9 t -118.12 136.85 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.459 1.504 . . . . 0.0 110.627 -176.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -133.93 147.38 51.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.636 1.974 . . . . 0.0 111.575 -172.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -77.08 -26.37 53.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.35 1.06 . . . . 0.0 113.632 -175.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -136.1 156.22 49.03 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.649 1.18 . . . . 0.0 112.773 -173.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -61.51 -41.61 97.57 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.133 0.973 . . . . 0.0 111.983 177.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -65.47 -32.13 73.58 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 m -65.75 -45.22 83.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.701 0.8 . . . . 0.0 111.53 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.9 tp -66.29 -43.13 87.17 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.973 -0.454 . . . . 0.0 112.0 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -59.86 -40.52 88.88 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.196 -0.94 . . . . 0.0 112.504 177.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.03 -30.92 64.11 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -68.23 -41.99 80.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.729 0.811 . . . . 0.0 112.149 172.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.0 mt -59.42 -17.04 27.36 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.658 1.183 . . . . 0.0 114.1 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -57.31 -22.95 45.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 pt -80.75 -26.23 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 119.22 0.918 . . . . 0.0 113.097 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -95.03 -27.53 15.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.096 1.358 . . . . 0.0 113.085 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -139.37 135.28 33.53 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.43 1.092 . . . . 0.0 112.246 172.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -149.48 41.77 0.88 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.01 1.724 . . . . 0.0 110.492 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.09 -26.2 68.44 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -114.28 130.39 24.01 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 125.307 1.443 . . . . 0.0 110.008 172.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -66.65 -46.05 4.1 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.077 2.518 . . . . 0.0 113.863 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -97.92 137.27 37.01 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.244 1.018 . . . . 0.0 110.868 -173.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -124.49 147.61 48.25 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.789 1.635 . . . . 0.0 111.911 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.4 t -71.34 133.47 85.27 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.488 1.115 . . . . 0.0 110.835 173.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.99 -9.29 16.75 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.619 2.879 . . . . 0.0 112.838 172.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -108.54 -29.11 8.94 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.8 p -143.51 -176.52 4.99 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.991 1.268 . . . . 0.0 112.846 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -70.72 -0.51 9.0 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.018 1.327 . . . . 0.0 114.347 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -64.95 145.79 55.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.043 1.737 . . . . 0.0 113.512 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.57 158.77 43.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.784 1.234 . . . . 0.0 112.641 170.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -139.06 153.17 48.03 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.607 1.963 . . . . 0.0 112.904 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.66 -8.1 57.74 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.804 1.241 . . . . 0.0 113.227 169.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.6 131.5 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.317 1.447 . . . . 0.0 110.757 -171.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -66.49 -34.83 78.79 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.653 0.781 . . . . 0.0 112.662 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.76 -28.73 63.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.248 1.019 . . . . 0.0 113.191 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -72.68 -37.9 67.73 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.783 -1.198 . . . . 0.0 110.849 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.8 tp -64.34 -34.86 79.11 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.668 -0.645 . . . . 0.0 112.256 171.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -57.66 -49.87 75.05 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.172 -0.955 . . . . 0.0 111.569 171.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.02 -34.07 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.103 0.961 . . . . 0.0 111.849 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -68.55 -42.18 78.73 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.442 -0.786 . . . . 0.0 112.999 173.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.66 -31.1 72.16 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.48 -1.388 . . . . 0.0 112.243 173.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -65.88 -8.25 21.07 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.656 1.183 . . . . 0.0 113.907 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -87.23 -26.78 23.33 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.837 1.255 . . . . 0.0 112.385 167.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -87.52 -29.19 21.52 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.337 1.455 . . . . 0.0 113.954 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.7 t -62.47 148.85 44.42 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -176.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.96 165.95 54.31 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.817 1.199 . . . . 0.0 115.509 -171.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -91.31 141.19 29.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.483 1.513 . . . . 0.0 110.5 173.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -108.85 153.82 22.98 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.504 1.522 . . . . 0.0 113.8 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -109.13 154.32 22.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.125 2.17 . . . . 0.0 110.334 174.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.49 145.29 49.62 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.451 1.101 . . . . 0.0 113.116 -175.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 45.9 t -64.78 141.72 58.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.194 1.398 . . . . 0.0 111.473 174.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.95 -7.19 59.26 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.302 1.041 . . . . 0.0 112.56 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -121.47 -23.41 5.65 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.167 1.387 . . . . 0.0 113.996 -169.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.4 p -145.72 -170.15 3.39 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.488 1.515 . . . . 0.0 112.368 176.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -81.59 -0.67 43.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.261 1.424 . . . . 0.0 114.766 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -63.47 145.76 54.99 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.307 1.043 . . . . 0.0 113.717 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.2 p -137.9 149.34 46.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.458 1.503 . . . . 0.0 112.033 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.4 t -148.01 150.01 33.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.399 1.08 . . . . 0.0 111.857 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -81.4 -7.4 59.57 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.852 0.861 . . . . 0.0 113.002 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.6 t -112.58 124.26 52.13 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.524 1.53 . . . . 0.0 111.157 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.77 -32.42 72.16 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.95 0.9 . . . . 0.0 111.92 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.87 93.74 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 123.991 0.805 . . . . 0.0 112.505 173.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -68.47 -32.74 72.96 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.676 -0.897 . . . . 0.0 112.286 175.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.72 -40.59 92.36 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.513 -0.742 . . . . 0.0 112.062 171.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.73 -42.2 98.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.325 -0.859 . . . . 0.0 111.561 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.21 -41.36 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.659 0.783 . . . . 0.0 111.64 174.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.06 -46.22 85.76 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.378 0.99 . . . . 0.0 111.636 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.51 -43.9 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 121.502 -0.748 . . . . 0.0 111.099 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -67.39 -30.96 70.87 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -85.5 -39.44 17.45 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -102.35 -30.18 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.232 1.013 . . . . 0.0 113.103 -169.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -126.7 15.31 7.54 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -169.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -138.7 161.67 36.59 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.346 1.858 . . . . 0.0 111.468 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.16 154.23 42.17 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.473 1.109 . . . . 0.0 112.884 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.0 pt -64.98 144.86 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.583 1.153 . . . . 0.0 111.719 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.757 2.023 . . . . 0.0 112.718 -174.503 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -65.94 -17.13 64.46 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -174.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -73.71 -12.72 60.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.782 1.233 . . . . 0.0 114.003 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.87 157.56 53.57 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.539 1.066 . . . . 0.0 113.983 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 p -78.27 150.2 33.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.749 1.219 . . . . 0.0 113.094 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -138.51 150.52 46.48 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.535 1.534 . . . . 0.0 111.727 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.15 161.2 54.29 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.018 0.818 . . . . 0.0 113.738 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -73.78 151.93 40.47 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.461 1.104 . . . . 0.0 111.744 176.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -126.68 141.17 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.05 1.74 . . . . 0.0 109.318 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -123.1 136.71 54.91 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.39 1.476 . . . . 0.0 110.434 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.2 m -133.43 134.99 44.31 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.514 0.726 . . . . 0.0 111.982 -170.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -72.11 129.26 38.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.217 1.407 . . . . 0.0 111.303 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -82.79 -6.74 59.56 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -106.57 -31.91 8.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.508 1.123 . . . . 0.0 113.786 -174.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -133.37 7.76 3.92 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 60.17 14.82 4.77 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.41 1.884 . . . . 0.0 115.863 175.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -65.45 150.94 47.5 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 111.887 170.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -120.18 137.73 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.289 1.436 . . . . 0.0 110.769 -176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -134.69 148.88 50.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.786 2.034 . . . . 0.0 111.248 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -78.4 -25.48 46.13 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -137.11 154.36 50.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.424 1.09 . . . . 0.0 112.931 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.92 -41.88 92.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.682 1.193 . . . . 0.0 112.268 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -65.72 -32.73 74.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.54 0.736 . . . . 0.0 112.844 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.5 m -67.92 -43.65 78.69 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.455 0.702 . . . . 0.0 111.561 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.73 -43.24 89.63 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.181 0.446 . . . . 0.0 111.9 172.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -61.5 -39.36 90.7 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.428 1.013 . . . . 0.0 112.852 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.91 -31.1 64.43 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -67.87 -42.31 81.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.448 0.699 . . . . 0.0 112.115 170.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.98 -18.5 34.62 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.904 1.282 . . . . 0.0 114.114 -176.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -53.48 -26.65 21.42 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 pt -79.89 -19.14 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -105.66 -26.86 11.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.778 1.631 . . . . 0.0 113.694 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.1 p -75.37 -16.0 60.42 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.71 150.46 44.38 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.431 1.092 . . . . 0.0 113.207 172.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -70.6 161.0 31.49 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.241 1.817 . . . . 0.0 114.922 -170.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -129.71 144.31 52.47 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 126.841 2.056 . . . . 0.0 110.016 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -70.16 -42.08 3.27 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.411 2.074 . . . . 0.0 112.978 175.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -96.29 114.51 26.2 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.683 0.793 . . . . 0.0 110.957 -175.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -131.69 144.23 50.85 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 128.08 2.552 . . . . 0.0 110.569 -171.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.5 t -72.86 135.94 80.34 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.007 0.923 . . . . 0.0 111.814 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.55 -10.27 18.72 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.533 2.822 . . . . 0.0 113.141 172.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -116.79 -24.09 7.84 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.6 p -143.54 -176.44 4.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 120.333 1.424 . . . . 0.0 113.005 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -71.05 -1.7 13.05 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.015 1.326 . . . . 0.0 114.297 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -62.92 141.69 58.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.667 1.587 . . . . 0.0 113.668 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.73 152.61 36.92 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.461 1.504 . . . . 0.0 110.536 168.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -128.75 -25.9 2.77 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 -169.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 57.73 11.59 1.37 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.941 1.296 . . . . 0.0 114.169 -165.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.0 mt -139.92 123.48 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.356 1.463 . . . . 0.0 110.096 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -59.5 -45.45 91.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.851 1.261 . . . . 0.0 112.661 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.39 -36.03 82.36 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.145 0.978 . . . . 0.0 112.85 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -71.77 -39.72 69.78 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.612 -0.68 . . . . 0.0 111.101 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.67 -38.76 92.35 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.527 -0.733 . . . . 0.0 112.26 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -60.66 -36.03 77.72 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.965 0.906 . . . . 0.0 112.087 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.7 t -79.07 -33.34 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.158 -0.964 . . . . 0.0 112.146 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.08 -40.64 98.25 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.958 -1.088 . . . . 0.0 112.897 174.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.34 -31.93 70.77 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.906 -1.121 . . . . 0.0 112.645 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -66.45 -9.56 35.32 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -86.9 -17.83 32.31 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.162 1.385 . . . . 0.0 113.254 171.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -81.65 67.27 7.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.755 1.222 . . . . 0.0 111.436 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.5 p -133.08 163.07 30.08 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.18 1.792 . . . . 0.0 112.212 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.29 -172.62 25.47 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.855 1.216 . . . . 0.0 113.847 -177.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -74.26 119.54 18.6 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.285 1.034 . . . . 0.0 111.982 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -91.16 153.25 20.17 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.14 1.376 . . . . 0.0 113.345 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -119.7 143.98 47.46 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.949 2.5 . . . . 0.0 108.245 169.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.82 144.19 51.04 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -169.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.2 t -68.97 145.25 53.76 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.0 1.32 . . . . 0.0 112.504 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -91.63 -9.78 42.77 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.933 1.293 . . . . 0.0 112.425 175.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -118.02 -19.55 9.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.302 1.441 . . . . 0.0 113.679 -171.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.7 p -146.93 -168.18 2.97 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.848 1.659 . . . . 0.0 111.98 172.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.0 p -85.94 1.26 50.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.783 1.633 . . . . 0.0 114.884 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -62.78 144.22 56.72 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.585 1.154 . . . . 0.0 114.103 -175.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.3 p -137.25 148.79 46.69 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.088 1.355 . . . . 0.0 112.448 170.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.3 p -145.65 166.44 25.8 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.487 1.515 . . . . 0.0 112.093 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.3 mt -92.81 12.3 24.04 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.654 1.181 . . . . 0.0 114.112 -176.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.0 t -147.61 140.38 24.81 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.064 1.346 . . . . 0.0 111.907 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -68.03 -25.07 65.2 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.014 0.926 . . . . 0.0 113.005 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.88 -42.83 76.96 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 123.71 0.671 . . . . 0.0 111.783 171.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.75 -34.99 79.12 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.956 -0.732 . . . . 0.0 111.498 172.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.1 tp -66.74 -42.75 85.74 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.654 -0.654 . . . . 0.0 112.051 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.1 -46.83 87.29 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.199 0.6 . . . . 0.0 111.099 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.15 -42.17 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.746 0.818 . . . . 0.0 111.704 175.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -59.52 -47.75 84.31 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.932 0.787 . . . . 0.0 111.995 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.62 -45.63 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 121.444 -0.785 . . . . 0.0 111.046 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -63.21 -39.31 94.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.443 0.697 . . . . 0.0 112.829 178.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -80.0 -40.98 26.77 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -98.42 -36.36 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.96 0.904 . . . . 0.0 113.005 -169.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -110.14 -37.25 5.62 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -170.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -78.47 -23.06 46.65 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.773 0.715 . . . . 0.0 111.449 167.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 mttm 53.96 50.54 16.54 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.306 2.243 . . . . 0.0 112.627 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.8 tp -59.54 137.67 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.627 1.171 . . . . 0.0 112.252 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm . . . . . 0 C--O 1.252 1.221 0 C-N-CA 127.004 2.122 . . . . 0.0 111.386 -176.371 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -68.41 147.84 51.51 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.462 1.105 . . . . 0.0 112.984 -178.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -76.43 -17.04 59.54 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -174.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.09 -168.32 50.56 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.425 1.012 . . . . 0.0 113.742 -174.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.9 p -149.34 158.87 44.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.104 1.362 . . . . 0.0 112.672 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -152.81 158.86 42.86 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.326 1.45 . . . . 0.0 111.487 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.54 173.28 54.44 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.612 1.101 . . . . 0.0 114.418 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -74.6 173.64 10.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.366 1.066 . . . . 0.0 112.666 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -112.41 145.39 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.802 1.641 . . . . 0.0 110.114 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -124.83 142.92 51.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.317 1.847 . . . . 0.0 110.909 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.0 m -136.27 136.93 40.23 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.801 0.84 . . . . 0.0 112.451 -172.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -71.78 131.81 43.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.419 1.488 . . . . 0.0 111.834 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.08 -9.68 59.46 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -105.35 -32.33 8.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -175.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.08 6.97 3.94 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.9 t30 58.15 19.32 5.99 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.242 1.817 . . . . 0.0 115.593 175.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -68.66 151.55 46.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.5 1.12 . . . . 0.0 111.508 170.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -119.41 136.99 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.19 1.396 . . . . 0.0 110.914 -174.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -134.03 148.41 51.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.588 1.955 . . . . 0.0 111.458 -172.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -77.88 -24.19 48.57 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -138.17 151.65 47.93 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.342 1.057 . . . . 0.0 112.463 -169.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.29 -45.78 93.06 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.516 1.126 . . . . 0.0 112.345 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -66.38 -33.52 75.91 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.313 0.645 . . . . 0.0 112.594 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.9 m -63.32 -43.47 97.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.521 0.728 . . . . 0.0 111.647 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.88 -45.53 81.71 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 119.019 -0.515 . . . . 0.0 111.682 171.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.77 -40.58 84.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.731 1.15 . . . . 0.0 112.911 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 -34.52 70.8 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 175.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -64.85 -45.07 87.66 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.849 -0.532 . . . . 0.0 111.942 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -56.47 -25.33 50.57 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.296 1.039 . . . . 0.0 113.282 -175.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -50.91 -32.5 20.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.632 1.173 . . . . 0.0 113.976 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt -66.49 -28.46 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.669 1.122 . . . . 0.0 112.69 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -94.59 -37.66 11.24 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.355 1.462 . . . . 0.0 112.51 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.7 p -92.8 -26.51 17.66 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -169.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -76.54 132.54 39.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.423 1.01 . . . . 0.0 110.679 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.22 -16.05 61.42 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.239 1.199 . . . . 0.0 114.239 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.87 132.22 95.17 Favored Pre-proline 0 N--CA 1.475 0.791 0 C-N-CA 123.657 0.783 . . . . 0.0 110.94 173.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.22 -38.74 1.92 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.528 2.152 . . . . 0.0 113.951 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -100.12 82.88 2.6 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.346 0.658 . . . . 0.0 111.896 -168.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -74.25 146.03 43.58 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.657 -0.652 . . . . 0.0 111.065 171.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.72 134.5 95.31 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.286 1.034 . . . . 0.0 110.51 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -71.78 -9.82 25.45 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.156 2.571 . . . . 0.0 112.92 173.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -120.02 -22.02 6.86 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.7 p -146.2 -170.25 3.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 120.837 1.653 . . . . 0.0 113.375 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -75.23 0.96 14.74 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.488 1.515 . . . . 0.0 114.193 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -66.96 150.84 48.67 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.91 1.684 . . . . 0.0 113.104 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.22 150.82 36.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.343 1.057 . . . . 0.0 113.443 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 t -133.15 155.02 50.07 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.287 1.835 . . . . 0.0 112.597 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.35 -1.95 43.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.94 1.296 . . . . 0.0 112.74 168.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mt -135.57 129.45 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.76 1.624 . . . . 0.0 109.912 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -65.96 -33.98 77.07 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.465 0.706 . . . . 0.0 112.534 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.1 96.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.911 0.884 . . . . 0.0 112.399 172.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -67.26 -35.42 79.49 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.189 -0.945 . . . . 0.0 111.762 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.08 -33.93 77.2 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.488 -0.757 . . . . 0.0 112.18 171.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -65.47 -39.44 91.96 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 120.019 1.281 . . . . 0.0 112.486 171.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.55 -23.24 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 124.722 1.209 . . . . 0.0 112.205 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -83.49 -44.8 14.32 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.148 0.979 . . . . 0.0 113.347 169.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.55 -32.05 72.94 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.343 -1.473 . . . . 0.0 113.226 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -62.56 -13.28 29.27 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 172.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -81.63 -26.19 35.02 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.944 1.298 . . . . 0.0 112.876 170.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -84.69 -36.23 22.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.493 1.117 . . . . 0.0 113.408 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.7 t -69.19 161.73 28.56 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -172.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.7 -46.45 0.1 OUTLIER Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.882 1.23 . . . . 0.0 112.971 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -74.43 139.93 44.31 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 122.302 1.049 . . . . 0.0 111.303 173.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -153.28 165.6 35.23 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.049 1.739 . . . . 0.0 112.971 -169.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -120.84 147.96 44.67 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.139 2.175 . . . . 0.0 110.003 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.24 144.37 50.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.169 0.987 . . . . 0.0 113.308 -170.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.3 t -69.87 145.5 51.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.485 1.514 . . . . 0.0 112.69 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -91.6 -10.2 41.36 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.155 1.382 . . . . 0.0 112.504 176.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -117.38 -22.1 8.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.315 1.446 . . . . 0.0 113.662 -171.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 p -145.24 -171.63 3.7 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.755 1.622 . . . . 0.0 112.238 174.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 m -82.25 0.93 39.05 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.24 1.416 . . . . 0.0 114.586 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -63.42 144.17 57.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.536 1.135 . . . . 0.0 114.058 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.8 p -135.87 149.01 48.86 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.595 1.558 . . . . 0.0 112.058 171.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.9 p -146.45 173.11 12.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.549 1.54 . . . . 0.0 112.101 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 72.8 mt -100.93 11.59 39.3 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -173.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.1 t -147.85 140.37 24.54 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.547 1.139 . . . . 0.0 112.334 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.76 -29.88 71.04 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.872 0.869 . . . . 0.0 112.197 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.09 -42.67 91.78 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 123.833 0.73 . . . . 0.0 112.222 171.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.89 -35.18 80.32 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.728 -0.866 . . . . 0.0 111.632 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.06 -45.59 80.8 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.506 0.722 . . . . 0.0 111.53 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.5 -47.16 82.68 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.436 0.695 . . . . 0.0 111.071 175.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 67.9 t -61.53 -44.85 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.697 0.799 . . . . 0.0 111.496 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -57.12 -47.86 80.06 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.329 0.968 . . . . 0.0 111.672 175.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.64 -47.16 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.612 -0.68 . . . . 0.0 110.846 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -57.77 -46.6 84.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.021 0.928 . . . . 0.0 112.698 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -78.1 -35.7 48.98 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 t -102.25 -34.55 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -169.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -122.47 -30.25 3.97 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 -169.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -70.24 -21.0 63.03 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.383 1.073 . . . . 0.0 113.582 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -133.53 145.95 50.6 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.102 2.161 . . . . 0.0 109.446 169.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.3 pt -63.96 150.06 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 124.572 1.149 . . . . 0.0 112.692 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.435 ' HA ' ' HE2' ' A' ' 92' ' ' LYS . 11.5 mmpt? . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.839 2.055 . . . . 0.0 111.967 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.2 m -133.79 136.6 44.61 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.732 0.813 . . . . 0.0 112.142 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.12 134.05 45.55 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.402 1.481 . . . . 0.0 111.687 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -85.38 -7.92 58.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -104.77 -30.48 9.87 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -135.31 5.22 3.23 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 59.83 15.95 5.27 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.553 1.941 . . . . 0.0 115.596 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -64.67 151.04 45.97 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.055 -1.028 . . . . 0.0 112.06 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.52 137.37 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.543 1.537 . . . . 0.0 110.926 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -134.57 146.08 49.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.417 1.887 . . . . 0.0 111.604 -172.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -77.04 -25.46 52.54 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.502 1.121 . . . . 0.0 113.576 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -137.35 152.59 49.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.324 1.45 . . . . 0.0 112.051 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -64.11 -34.91 79.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.552 0.741 . . . . 0.0 112.81 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -65.34 -32.85 74.71 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.637 0.653 . . . . 0.0 112.739 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 m -68.2 -40.64 82.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.443 0.697 . . . . 0.0 111.64 173.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.92 -44.04 86.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.018 0.527 . . . . 0.0 111.767 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -60.68 -39.66 89.27 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.157 -0.965 . . . . 0.0 112.613 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.1 67.79 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -66.58 -42.69 86.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.652 0.781 . . . . 0.0 112.301 173.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.4 mt -57.88 -19.8 32.0 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.507 1.123 . . . . 0.0 113.856 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -56.12 -29.36 60.55 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.786 1.235 . . . . 0.0 113.521 174.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 pt . . . . . 0 N--CA 1.475 0.818 0 CA-C-N 119.269 0.94 . . . . 0.0 112.662 177.677 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 CA--C 1.535 0.535 0 N-CA-C 115.17 1.181 . . . . 0.0 115.17 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -93.08 87.12 5.61 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.598 0.759 . . . . 0.0 111.108 -171.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -92.33 140.96 29.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.296 1.438 . . . . 0.0 111.963 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.13 134.3 87.43 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 124.425 1.09 . . . . 0.0 110.719 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.06 -13.83 17.1 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.161 2.574 . . . . 0.0 112.45 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -102.78 -31.0 10.52 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -143.06 -176.23 4.83 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.755 1.161 . . . . 0.0 113.086 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -71.65 -0.66 11.35 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.106 1.362 . . . . 0.0 114.503 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.78 143.76 57.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.907 1.683 . . . . 0.0 113.645 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.15 154.8 43.54 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.532 1.133 . . . . 0.0 113.229 170.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -138.1 157.41 46.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.55 1.94 . . . . 0.0 112.233 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.21 -2.44 56.51 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.768 1.227 . . . . 0.0 113.451 169.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.7 mt -136.42 132.4 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.457 1.503 . . . . 0.0 110.608 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -66.07 -37.1 84.97 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.158 0.983 . . . . 0.0 112.669 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.48 -39.91 94.68 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.778 0.831 . . . . 0.0 112.118 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -68.77 -32.28 71.91 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.327 -0.858 . . . . 0.0 111.854 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.42 -37.51 87.15 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.242 -0.911 . . . . 0.0 111.671 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -64.13 -39.3 93.73 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.953 1.252 . . . . 0.0 112.521 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.38 -25.82 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.782 1.233 . . . . 0.0 112.215 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -80.56 -45.76 16.86 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.12 -36.21 76.97 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.782 -1.199 . . . . 0.0 112.708 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.61 -20.95 62.08 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -73.18 -28.32 62.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.106 0.962 . . . . 0.0 112.687 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 . . . . . 0 CA--C 1.547 0.843 0 C-N-CA 124.046 0.938 . . . . 0.0 113.519 172.825 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 CA--C 1.537 0.443 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.05 141.06 48.52 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.364 1.066 . . . . 0.0 112.938 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 36.3 t -65.69 145.54 55.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.103 1.361 . . . . 0.0 112.668 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -88.38 -10.51 49.09 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.797 1.239 . . . . 0.0 112.519 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -117.61 -22.4 8.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.24 1.416 . . . . 0.0 113.656 -171.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.8 p -146.19 -170.76 3.57 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.803 1.641 . . . . 0.0 112.196 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 m -83.68 1.77 40.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.274 1.43 . . . . 0.0 114.548 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -63.54 144.79 56.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.627 1.171 . . . . 0.0 114.06 -174.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 p -135.02 146.09 48.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.685 1.594 . . . . 0.0 111.92 170.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.8 p -145.4 172.01 13.79 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.924 1.29 . . . . 0.0 111.408 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tp -94.65 13.26 24.86 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -171.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -149.79 136.36 19.21 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.891 1.277 . . . . 0.0 112.106 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -62.87 -27.86 69.64 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 171.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.95 -44.21 69.13 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.873 0.749 . . . . 0.0 111.885 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -64.07 -36.0 82.59 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.93 -0.747 . . . . 0.0 111.39 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.75 -42.54 90.82 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.526 -0.734 . . . . 0.0 112.225 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -59.08 -40.2 84.49 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.661 -0.649 . . . . 0.0 111.325 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.46 -30.35 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.711 1.204 . . . . 0.0 112.43 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -64.92 -48.05 75.54 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.419 -1.426 . . . . 0.0 110.599 168.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.77 -46.52 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.789 0.836 . . . . 0.0 110.775 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -63.38 -27.72 69.5 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -92.19 -40.13 11.17 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.0 t -97.48 -34.37 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.023 0.929 . . . . 0.0 112.779 -169.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.715 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 119.916 -0.088 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -135.0 134.59 40.64 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.459 0.704 . . . . 0.0 111.972 -170.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.5 t -74.96 127.57 33.54 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.206 1.403 . . . . 0.0 111.123 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.24 -8.49 59.76 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -102.91 -31.29 10.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.365 1.066 . . . . 0.0 113.747 -174.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 p -133.9 8.96 3.84 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 58.49 20.93 7.98 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.332 1.853 . . . . 0.0 115.55 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -73.31 151.31 41.36 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.637 1.175 . . . . 0.0 111.842 172.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.5 t -119.58 138.19 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.171 1.388 . . . . 0.0 110.764 -177.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -134.99 149.48 50.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.965 2.106 . . . . 0.0 111.114 -173.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -80.11 -27.39 39.2 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -176.238 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -131.9 154.62 49.03 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.031 0.932 . . . . 0.0 113.04 -173.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -60.32 -41.95 94.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.431 1.093 . . . . 0.0 111.974 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -66.37 -32.75 74.34 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.46 0.704 . . . . 0.0 112.793 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -65.77 -45.82 81.06 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.637 0.775 . . . . 0.0 111.414 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.86 -44.1 86.42 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 122.056 -0.403 . . . . 0.0 111.946 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -61.21 -39.37 89.98 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.537 1.062 . . . . 0.0 112.779 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.45 63.66 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -67.9 -43.73 78.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.325 0.65 . . . . 0.0 111.979 170.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.06 -21.43 45.6 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.899 1.279 . . . . 0.0 113.925 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -52.38 -28.11 18.35 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 pt . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 177.782 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 CA--C 1.536 0.617 0 N-CA-C 114.931 1.089 . . . . 0.0 114.931 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -87.41 77.01 8.96 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.779 0.8 . . . . 0.0 111.211 -171.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.28 143.59 33.53 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.77 1.628 . . . . 0.0 112.035 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.5 t -72.51 136.33 81.05 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 124.409 1.084 . . . . 0.0 111.245 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.44 -9.64 21.67 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.482 2.788 . . . . 0.0 113.093 172.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -116.8 -25.68 7.22 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -145.45 -174.46 4.4 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.386 1.448 . . . . 0.0 113.445 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -72.82 -1.21 15.79 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.313 1.445 . . . . 0.0 114.508 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.92 140.92 56.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.32 1.448 . . . . 0.0 112.983 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.08 150.23 35.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.824 1.25 . . . . 0.0 111.99 169.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -138.16 161.55 36.52 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.648 1.179 . . . . 0.0 113.446 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.7 -4.94 58.41 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.914 1.285 . . . . 0.0 112.854 169.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.0 mt -128.91 128.86 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.159 1.384 . . . . 0.0 110.71 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.78 -38.09 85.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.174 0.99 . . . . 0.0 113.065 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.13 67.86 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.629 0.772 . . . . 0.0 112.943 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -70.71 -41.68 71.59 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.146 -0.971 . . . . 0.0 110.533 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.77 -38.43 85.24 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.636 -0.665 . . . . 0.0 111.787 169.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -60.34 -43.22 96.67 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.053 0.842 . . . . 0.0 112.092 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.52 -36.09 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.643 0.777 . . . . 0.0 111.754 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -63.93 -43.05 97.03 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.453 -0.779 . . . . 0.0 112.883 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.23 -33.17 71.89 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.054 -1.029 . . . . 0.0 112.672 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 -62.5 -20.35 64.51 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.979 0.912 . . . . 0.0 113.396 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -77.73 -23.36 49.4 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.571 1.148 . . . . 0.0 113.466 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -179.137 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 CA--C 1.54 0.581 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.89 141.89 48.63 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.013 0.925 . . . . 0.0 112.91 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.9 t -66.32 145.34 55.84 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.858 1.263 . . . . 0.0 112.057 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -87.87 -9.76 52.77 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.583 1.153 . . . . 0.0 112.659 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -120.96 -19.8 7.1 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.034 1.334 . . . . 0.0 114.13 -170.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.73 -173.8 4.31 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.304 1.442 . . . . 0.0 112.445 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 m -79.41 0.72 28.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.338 1.455 . . . . 0.0 114.632 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.98 143.15 58.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.43 1.092 . . . . 0.0 113.513 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -130.52 152.51 49.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.069 1.348 . . . . 0.0 111.765 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 t -139.78 159.09 42.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.238 1.415 . . . . 0.0 112.084 -171.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.8 mt -90.96 -4.42 56.49 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.921 1.288 . . . . 0.0 113.387 174.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.3 t -144.29 134.19 23.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.229 1.412 . . . . 0.0 111.998 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -64.92 -26.32 68.26 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.785 0.834 . . . . 0.0 113.179 171.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.22 -47.17 54.32 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.87 0.747 . . . . 0.0 112.132 174.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -70.78 -30.05 66.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.556 -0.967 . . . . 0.0 112.196 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.71 -38.77 92.12 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.11 -0.994 . . . . 0.0 112.092 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.92 -42.72 99.42 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.376 -0.828 . . . . 0.0 111.163 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.0 -41.07 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.003 0.82 . . . . 0.0 111.724 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -58.52 -49.51 77.13 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.136 0.88 . . . . 0.0 111.84 171.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.8 -47.92 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.106 -0.997 . . . . 0.0 111.433 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -67.95 -21.34 65.1 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -102.26 -34.52 9.2 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.73 -40.23 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.283 1.033 . . . . 0.0 112.154 -172.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 N--CA 1.473 0.703 0 C-N-CA 123.7 0.8 . . . . 0.0 112.846 -177.434 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 CA--C 1.539 0.555 0 CA-C-O 120.039 -0.029 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -136.14 135.73 39.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.705 0.802 . . . . 0.0 111.988 -171.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.5 t -71.12 133.11 45.98 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.2 1.4 . . . . 0.0 111.759 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -84.26 -9.17 58.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -105.21 -31.19 9.23 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.424 1.09 . . . . 0.0 113.767 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -134.5 7.15 3.56 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 m120 59.74 14.69 4.25 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.435 1.894 . . . . 0.0 115.968 174.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -65.69 151.53 46.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.557 1.143 . . . . 0.0 111.926 171.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.15 137.02 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.36 1.464 . . . . 0.0 110.881 -174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -135.53 148.19 49.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.465 1.906 . . . . 0.0 111.721 -172.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -77.11 -28.75 54.51 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -135.14 157.39 47.05 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.478 1.111 . . . . 0.0 113.024 -174.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -59.48 -42.12 91.35 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.818 1.247 . . . . 0.0 112.131 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -67.46 -32.89 74.05 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.405 0.682 . . . . 0.0 112.768 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 m -65.36 -45.76 82.86 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.619 0.768 . . . . 0.0 111.45 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.07 -45.58 84.74 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 122.082 -0.386 . . . . 0.0 111.779 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -60.35 -38.69 84.64 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.01 -1.056 . . . . 0.0 112.878 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.93 -29.72 63.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -68.8 -43.7 75.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.796 0.838 . . . . 0.0 112.264 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.6 mt -57.79 -19.07 25.63 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.592 1.157 . . . . 0.0 113.649 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -57.03 -21.25 29.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.827 1.251 . . . . 0.0 114.361 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 pt . . . . . 0 N--CA 1.476 0.852 0 CA-C-N 119.788 1.177 . . . . 0.0 113.436 176.246 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.533 0.46 0 N-CA-C 114.801 1.039 . . . . 0.0 114.801 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -84.8 90.48 7.76 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.876 0.87 . . . . 0.0 110.849 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.39 141.55 31.14 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.319 1.448 . . . . 0.0 112.397 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.9 t -72.19 132.82 83.98 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.439 1.096 . . . . 0.0 111.042 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -78.92 -8.09 15.53 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.428 2.752 . . . . 0.0 112.975 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -110.27 -29.82 7.98 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 p -145.87 179.76 7.24 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.062 1.301 . . . . 0.0 113.314 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -75.56 42.05 0.21 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.334 1.854 . . . . 0.0 113.64 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -110.33 141.91 42.71 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.625 1.97 . . . . 0.0 112.587 -176.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.34 154.65 41.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.256 1.022 . . . . 0.0 112.525 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 t -143.22 167.52 21.93 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.843 1.657 . . . . 0.0 112.825 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.96 0.91 44.95 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.683 1.593 . . . . 0.0 113.481 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.3 mt -133.5 130.93 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.612 1.165 . . . . 0.0 111.148 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -64.55 -41.17 96.5 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.577 1.151 . . . . 0.0 113.006 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.25 83.39 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.741 0.817 . . . . 0.0 112.438 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -66.79 -40.31 88.09 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.522 -0.736 . . . . 0.0 111.63 173.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.2 -35.78 81.91 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.819 0.736 . . . . 0.0 112.167 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -62.45 -43.27 99.21 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.568 1.076 . . . . 0.0 112.118 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.98 -32.6 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 121.394 -0.816 . . . . 0.0 111.897 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -69.16 -41.73 76.85 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.415 -0.803 . . . . 0.0 112.897 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.41 -31.56 72.75 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.544 -1.348 . . . . 0.0 112.309 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -63.04 -11.68 21.03 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 170.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -83.32 -22.32 32.95 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.861 1.264 . . . . 0.0 113.323 169.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 N--CA 1.472 0.646 0 C-N-CA 124.541 1.137 . . . . 0.0 113.912 -176.868 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.34 143.05 50.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.35 1.06 . . . . 0.0 112.897 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 39.5 t -65.01 143.5 57.9 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.1 1.36 . . . . 0.0 112.104 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -87.16 -9.4 55.34 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.575 1.15 . . . . 0.0 112.58 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -119.66 -21.42 7.31 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.135 1.374 . . . . 0.0 113.772 -170.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.76 -168.19 2.91 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.57 1.548 . . . . 0.0 112.255 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.9 p -85.04 -0.03 53.08 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.704 1.602 . . . . 0.0 114.808 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -62.85 145.63 54.6 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.575 1.15 . . . . 0.0 113.792 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.4 p -135.42 152.64 51.59 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.606 1.562 . . . . 0.0 111.882 173.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.6 t -145.24 156.28 43.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.498 1.119 . . . . 0.0 111.74 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.65 -9.12 59.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.375 1.07 . . . . 0.0 112.877 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.5 m -129.33 125.57 37.0 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.326 1.45 . . . . 0.0 111.946 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.85 -31.02 70.56 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.999 0.92 . . . . 0.0 113.002 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.51 -42.08 97.65 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.721 0.676 . . . . 0.0 112.818 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -68.87 -34.87 76.17 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.534 -0.98 . . . . 0.0 111.772 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.0 tp -63.04 -40.5 97.91 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.281 -0.887 . . . . 0.0 112.021 170.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -62.72 -40.91 98.66 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.175 -0.953 . . . . 0.0 111.382 173.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.87 -41.59 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.478 0.711 . . . . 0.0 111.815 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -57.8 -44.42 86.31 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.365 0.984 . . . . 0.0 111.721 171.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.68 -45.58 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 O-C-N 121.372 -0.83 . . . . 0.0 111.245 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -64.68 -34.17 77.68 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -85.76 -37.3 19.46 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.6 t -102.01 -34.85 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.114 0.966 . . . . 0.0 112.587 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -170.328 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 120.015 -0.041 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -136.31 135.51 38.98 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.684 0.793 . . . . 0.0 111.756 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.6 t -73.21 128.52 35.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.214 1.406 . . . . 0.0 111.28 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.34 -7.84 59.64 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -104.48 -31.81 9.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.39 1.076 . . . . 0.0 113.827 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.7 8.19 3.85 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.0 t30 58.4 20.18 7.13 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.443 1.897 . . . . 0.0 115.592 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -71.21 151.2 44.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.529 1.132 . . . . 0.0 111.794 171.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.65 137.5 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.287 1.435 . . . . 0.0 110.793 -175.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -135.67 148.57 48.98 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.452 1.901 . . . . 0.0 111.726 -172.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -77.49 -29.19 52.48 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -175.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -134.57 157.54 46.29 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.593 1.157 . . . . 0.0 113.08 -173.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -60.12 -42.46 94.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.564 1.145 . . . . 0.0 111.982 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -66.32 -32.11 73.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.419 0.688 . . . . 0.0 112.752 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.5 m -66.14 -45.88 79.46 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.659 0.784 . . . . 0.0 111.495 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.84 -42.7 90.17 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 122.011 -0.431 . . . . 0.0 112.014 173.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -61.6 -39.03 89.78 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.129 -0.982 . . . . 0.0 112.817 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.99 -32.79 67.57 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.681 -0.637 . . . . 0.0 112.685 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -67.11 -41.77 85.67 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.513 0.725 . . . . 0.0 112.551 171.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.8 mt -59.66 -15.68 21.05 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.942 1.297 . . . . 0.0 114.068 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -56.21 -22.52 29.8 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.938 1.295 . . . . 0.0 113.939 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 pt . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 176.009 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 CA--C 1.532 0.419 0 N-CA-C 115.788 1.418 . . . . 0.0 115.788 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -83.57 82.04 8.48 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.354 0.661 . . . . 0.0 111.4 -172.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.92 141.87 45.97 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.862 1.265 . . . . 0.0 111.731 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -72.06 135.81 82.43 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 124.798 1.239 . . . . 0.0 110.796 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.25 -9.34 17.67 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.618 2.879 . . . . 0.0 112.97 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -111.19 -27.95 8.48 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.3 p -141.45 -176.77 4.85 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 120.183 1.356 . . . . 0.0 112.833 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 p -73.1 0.46 11.48 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.04 143.93 57.34 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.642 1.577 . . . . 0.0 113.371 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.85 151.59 38.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.781 1.233 . . . . 0.0 111.858 169.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 t -132.84 161.91 32.93 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.219 1.408 . . . . 0.0 113.312 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.4 -4.75 56.83 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.071 1.348 . . . . 0.0 113.49 170.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.7 mt -132.23 129.69 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.49 1.116 . . . . 0.0 110.659 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -66.94 -38.21 85.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.917 0.887 . . . . 0.0 112.576 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.95 -31.45 72.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.116 0.966 . . . . 0.0 112.957 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.12 -41.46 73.9 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.369 -0.832 . . . . 0.0 111.445 172.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.5 -37.19 82.78 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.833 0.742 . . . . 0.0 111.927 171.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.0 -32.35 70.78 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.987 0.915 . . . . 0.0 112.539 175.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.9 t -84.4 -31.32 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.58 1.152 . . . . 0.0 112.198 173.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -65.3 -38.93 91.71 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.824 -1.172 . . . . 0.0 112.518 172.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.27 -30.5 71.16 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.805 -1.184 . . . . 0.0 112.681 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -65.59 -9.89 30.7 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 172.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -83.4 -19.62 35.69 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.73 1.212 . . . . 0.0 112.574 168.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 126.239 1.816 . . . . 0.0 114.138 -178.399 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.95 142.85 50.36 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -170.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.1 t -67.05 143.44 56.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.15 1.38 . . . . 0.0 112.19 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -88.39 -9.5 52.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.671 1.188 . . . . 0.0 112.502 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -118.88 -20.44 8.17 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.147 1.379 . . . . 0.0 113.872 -169.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.6 p -148.25 -169.33 3.32 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.565 1.546 . . . . 0.0 112.232 174.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -82.5 0.74 41.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.434 1.494 . . . . 0.0 114.701 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -62.8 143.44 57.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.255 1.022 . . . . 0.0 113.742 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.1 p -138.01 150.8 47.29 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.23 1.412 . . . . 0.0 111.783 169.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.8 t -145.36 164.26 32.03 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.354 1.062 . . . . 0.0 111.96 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.55 5.58 34.89 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.048 1.339 . . . . 0.0 114.236 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 p -140.71 147.93 39.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.814 0.846 . . . . 0.0 112.968 170.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.75 -30.7 69.37 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.171 0.988 . . . . 0.0 112.003 174.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.09 -46.64 90.66 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.155 0.883 . . . . 0.0 112.828 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -67.63 -33.72 75.54 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.183 0.992 . . . . 0.0 111.588 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.3 tp -66.23 -41.16 90.45 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.454 -0.779 . . . . 0.0 112.178 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.87 -44.62 94.07 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.511 0.724 . . . . 0.0 111.117 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.8 t -61.82 -44.46 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 118.835 -0.602 . . . . 0.0 111.296 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -56.29 -48.29 76.92 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.568 1.076 . . . . 0.0 111.826 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.55 -45.94 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 121.421 -0.8 . . . . 0.0 111.267 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -71.39 -25.16 62.23 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -95.63 -33.96 12.17 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.74 -39.98 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.921 0.888 . . . . 0.0 112.375 -174.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -171.649 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.7 m -130.61 136.41 48.84 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.699 0.8 . . . . 0.0 112.408 -169.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -71.05 130.6 41.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.26 1.424 . . . . 0.0 111.598 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.69 -7.63 59.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -106.62 -31.72 8.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.48 1.112 . . . . 0.0 113.884 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 p -133.05 6.57 3.92 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.7 15.5 4.78 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.374 1.87 . . . . 0.0 115.803 175.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -64.01 148.34 49.92 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.445 1.098 . . . . 0.0 111.762 170.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.8 t -118.25 136.11 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.343 1.457 . . . . 0.0 110.718 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -132.62 145.2 50.9 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.519 1.928 . . . . 0.0 110.997 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -79.56 -17.91 52.92 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -138.85 148.4 43.66 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.239 1.416 . . . . 0.0 111.725 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -65.3 -36.85 85.33 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -63.33 -33.24 75.1 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 m -67.15 -41.16 86.5 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.574 0.749 . . . . 0.0 111.553 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -67.06 -44.39 80.24 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 122.071 -0.393 . . . . 0.0 111.81 173.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -58.79 -41.91 87.8 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.225 0.92 . . . . 0.0 112.239 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.12 -30.69 63.81 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -68.17 -44.44 75.93 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.326 0.65 . . . . 0.0 111.9 172.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.93 -23.35 53.06 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.6 1.16 . . . . 0.0 113.749 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -50.64 -34.49 26.46 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.173 0.989 . . . . 0.0 113.597 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -179.548 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 CA--C 1.534 0.481 0 N-CA-C 114.632 0.974 . . . . 0.0 114.632 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.79 90.73 6.66 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.304 0.642 . . . . 0.0 110.787 -172.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -96.91 137.6 35.75 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.218 1.407 . . . . 0.0 112.61 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -74.97 126.67 87.97 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 126.182 1.793 . . . . 0.0 110.596 173.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.57 -6.89 17.4 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.042 2.495 . . . . 0.0 113.103 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -111.81 -22.17 11.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -170.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.5 p -140.18 10.4 2.34 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m 60.34 14.55 4.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.805 1.642 . . . . 0.0 115.324 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.6 152.61 21.78 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.074 1.75 . . . . 0.0 110.419 168.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.18 150.36 40.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.1 t -139.22 159.72 41.49 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.529 1.532 . . . . 0.0 113.035 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.09 -3.86 58.52 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.316 1.447 . . . . 0.0 113.44 170.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.5 mt -126.86 129.15 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.954 1.302 . . . . 0.0 110.646 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -65.57 -43.03 91.05 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.143 0.977 . . . . 0.0 112.665 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.15 72.09 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.892 0.877 . . . . 0.0 112.832 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -66.93 -41.91 86.2 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.234 -0.916 . . . . 0.0 111.423 173.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.89 -38.31 90.62 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.747 0.703 . . . . 0.0 111.644 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.8 -37.38 78.95 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.739 0.816 . . . . 0.0 112.353 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -77.07 -35.66 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.19 0.996 . . . . 0.0 111.971 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -63.4 -39.28 94.08 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.997 -1.064 . . . . 0.0 113.117 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.7 mt -62.94 -28.89 70.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.938 -1.101 . . . . 0.0 112.815 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -61.99 -17.92 58.75 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 171.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -75.96 -24.55 55.45 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.352 0.978 . . . . 0.0 112.63 171.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 CA--C 1.542 0.638 0 C-N-CA 125.239 1.415 . . . . 0.0 112.119 178.894 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.73 141.91 51.28 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.005 0.82 . . . . 0.0 113.076 -172.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.24 145.43 56.01 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.206 1.403 . . . . 0.0 112.341 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -86.83 -9.62 55.37 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.601 1.16 . . . . 0.0 112.634 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -121.9 -21.98 5.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.935 1.294 . . . . 0.0 114.15 -171.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.0 p -143.14 -171.7 3.53 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.262 1.425 . . . . 0.0 112.461 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.1 p -82.87 1.26 40.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.689 1.596 . . . . 0.0 114.729 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -62.62 139.86 58.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.499 1.12 . . . . 0.0 113.637 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -123.22 148.09 46.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.929 1.691 . . . . 0.0 111.614 170.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.4 t -136.51 153.99 50.86 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.304 1.442 . . . . 0.0 112.07 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.59 -7.47 59.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.268 1.427 . . . . 0.0 112.923 174.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -142.13 133.67 26.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.209 1.404 . . . . 0.0 112.114 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -65.29 -27.39 68.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.002 0.921 . . . . 0.0 112.989 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.32 -46.89 46.92 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.019 0.819 . . . . 0.0 112.049 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -69.78 -30.21 67.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.814 -0.815 . . . . 0.0 112.121 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.45 -39.48 93.89 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.262 -0.898 . . . . 0.0 112.285 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.63 -40.7 95.8 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.34 -0.85 . . . . 0.0 111.394 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 90.1 t -62.74 -43.34 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.617 0.767 . . . . 0.0 111.687 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -57.17 -47.99 79.84 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.094 0.861 . . . . 0.0 111.608 172.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.21 -50.97 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 121.612 -0.68 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -59.55 -39.81 85.2 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.989 0.915 . . . . 0.0 113.038 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -85.3 -36.54 20.78 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.5 t -95.45 -35.62 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.563 0.745 . . . . 0.0 112.452 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -170.426 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.4 m -129.17 135.61 49.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.441 0.696 . . . . 0.0 112.547 -169.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -73.53 128.76 36.38 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.24 1.416 . . . . 0.0 111.245 174.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.09 -8.81 59.58 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -103.97 -31.22 9.83 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -174.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.91 3.35 3.47 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 60.9 17.73 8.09 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.286 1.834 . . . . 0.0 115.698 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -63.45 149.41 46.1 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.04 -1.038 . . . . 0.0 111.273 168.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -123.6 138.64 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.135 1.374 . . . . 0.0 111.102 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -134.62 151.06 50.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.172 2.189 . . . . 0.0 110.976 -172.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -80.13 -27.73 39.05 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.298 1.039 . . . . 0.0 113.4 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -129.06 150.9 50.27 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.721 1.208 . . . . 0.0 112.642 -173.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.95 -41.18 97.69 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.341 1.057 . . . . 0.0 112.38 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -64.14 -33.61 76.17 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 m -66.91 -42.65 85.08 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.505 0.722 . . . . 0.0 111.721 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.4 tp -67.51 -44.32 78.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.658 0.383 . . . . 0.0 111.659 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -59.65 -40.46 87.78 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.171 0.896 . . . . 0.0 112.504 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.99 -31.89 64.8 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.29 -43.62 81.27 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.74 -0.6 . . . . 0.0 112.084 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.1 mt -59.27 -22.03 60.52 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.501 1.12 . . . . 0.0 113.934 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -52.0 -29.6 21.49 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.728 1.211 . . . . 0.0 113.985 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 pt . . . . . 0 N--CA 1.471 0.591 0 CA-C-N 118.467 0.576 . . . . 0.0 111.766 178.758 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo . . . . . 0 CA--C 1.531 0.366 0 N-CA-C 114.823 1.047 . . . . 0.0 114.823 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -83.81 74.82 10.15 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.951 0.881 . . . . 0.0 111.345 -173.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -77.4 143.11 38.9 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.728 2.011 . . . . 0.0 111.673 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.0 t -73.14 136.17 79.39 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.36 1.064 . . . . 0.0 111.103 173.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.23 -9.22 21.7 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.385 2.723 . . . . 0.0 113.145 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -118.72 -23.76 6.92 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.6 p -145.03 -172.27 3.81 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 120.435 1.471 . . . . 0.0 112.967 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.1 p -73.94 -4.48 35.42 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -55.8 139.63 44.83 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.0 1.32 . . . . 0.0 113.173 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.15 151.31 36.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.184 1.394 . . . . 0.0 111.279 168.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t -145.45 172.59 12.98 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.239 1.015 . . . . 0.0 113.247 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.49 0.1 44.46 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.131 1.772 . . . . 0.0 113.692 175.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.3 mt -129.98 128.9 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.074 1.35 . . . . 0.0 110.317 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -66.86 -37.74 85.02 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.372 1.069 . . . . 0.0 112.99 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.89 74.4 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.471 0.708 . . . . 0.0 112.472 173.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -69.61 -39.37 77.25 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.36 -0.837 . . . . 0.0 111.302 175.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.29 -38.13 85.67 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.741 -0.599 . . . . 0.0 112.105 170.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -63.28 -44.12 95.97 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.662 1.119 . . . . 0.0 112.09 173.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.17 -23.98 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.675 1.19 . . . . 0.0 112.523 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -78.18 -43.83 27.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.48 1.112 . . . . 0.0 113.193 169.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.04 -31.2 70.84 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.746 -1.221 . . . . 0.0 112.401 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 mtp-105 -58.62 -15.53 12.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.789 1.236 . . . . 0.0 114.248 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -91.98 -14.21 29.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.682 1.593 . . . . 0.0 113.823 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 CA--C 1.546 0.809 0 C-N-CA 124.572 1.149 . . . . 0.0 111.815 173.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.72 141.45 47.24 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.396 1.078 . . . . 0.0 113.855 -169.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 t -68.59 143.62 54.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.09 1.356 . . . . 0.0 112.19 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.41 -8.47 50.52 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.749 1.22 . . . . 0.0 112.423 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -117.37 -22.13 8.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.254 1.422 . . . . 0.0 113.461 -169.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -146.12 -168.16 2.92 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.923 1.689 . . . . 0.0 112.236 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.9 p -84.61 1.07 47.8 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.8 1.64 . . . . 0.0 114.897 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.66 138.74 58.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.299 1.04 . . . . 0.0 113.42 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.1 p -139.55 142.63 37.19 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.201 1.4 . . . . 0.0 111.127 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.4 t -141.38 159.0 43.13 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.13 0.972 . . . . 0.0 113.009 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.55 -12.1 60.38 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.961 1.304 . . . . 0.0 113.164 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.3 t -125.24 131.92 53.04 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.141 1.376 . . . . 0.0 112.423 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -69.01 -30.69 69.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.727 1.211 . . . . 0.0 112.038 172.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.64 -43.37 85.57 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 123.879 0.752 . . . . 0.0 112.179 172.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.44 -35.51 81.17 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.684 -0.892 . . . . 0.0 111.51 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.02 -43.68 91.64 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.415 -0.803 . . . . 0.0 111.898 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -59.13 -42.54 90.86 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.659 -0.65 . . . . 0.0 111.328 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.73 -42.29 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.329 1.052 . . . . 0.0 111.854 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -57.28 -46.96 82.6 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.112 0.869 . . . . 0.0 111.434 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.82 -48.07 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 121.477 -0.764 . . . . 0.0 110.682 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -59.84 -33.49 71.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.552 1.141 . . . . 0.0 113.927 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -96.02 -35.76 11.27 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -174.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.5 t -97.07 -37.1 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.991 0.916 . . . . 0.0 112.431 -171.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.473 0.71 0 C-N-CA 123.701 0.8 . . . . 0.0 113.127 -173.79 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.1 m -136.03 137.83 41.57 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.693 0.797 . . . . 0.0 112.384 -169.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.5 t -69.01 133.71 48.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.722 1.609 . . . . 0.0 111.942 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.43 -9.25 58.56 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.48 -31.11 9.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.414 1.086 . . . . 0.0 113.868 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -136.19 3.65 2.89 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.13 15.77 6.58 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -62.92 146.42 52.98 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.945 -1.097 . . . . 0.0 111.6 169.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -115.72 137.73 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.574 1.55 . . . . 0.0 110.927 -172.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -134.76 149.26 50.4 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.326 1.85 . . . . 0.0 111.895 -172.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -71.94 -29.35 64.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.433 1.093 . . . . 0.0 113.622 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -140.38 152.75 46.01 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.686 1.194 . . . . 0.0 111.982 -169.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -66.69 -35.92 81.29 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -66.54 -35.49 80.36 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.693 0.679 . . . . 0.0 112.212 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 m -64.09 -42.23 97.01 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.503 0.721 . . . . 0.0 111.798 173.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.41 -44.73 86.52 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.898 -0.501 . . . . 0.0 111.969 172.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -58.49 -39.66 80.61 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.949 -1.094 . . . . 0.0 112.396 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.33 -30.22 65.94 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -69.73 -44.31 70.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.494 0.717 . . . . 0.0 112.053 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.58 -18.38 29.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.888 1.275 . . . . 0.0 113.654 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -52.96 -33.76 52.56 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.968 0.907 . . . . 0.0 113.318 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 pt . . . . . 0 N--CA 1.477 0.877 0 CA-C-N 119.595 1.089 . . . . 0.0 113.107 179.623 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo . . . . . 0 CA--C 1.535 0.556 0 N-CA-C 115.488 1.303 . . . . 0.0 115.488 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -88.62 79.94 7.43 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.967 0.889 . . . . 0.0 111.072 -172.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -84.32 143.7 29.34 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.304 1.842 . . . . 0.0 111.787 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.98 135.62 80.22 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 124.31 1.044 . . . . 0.0 111.417 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -74.87 -13.02 21.82 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.408 2.739 . . . . 0.0 112.657 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -111.02 -27.32 8.82 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -173.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -143.24 -174.35 4.18 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 120.819 1.645 . . . . 0.0 113.242 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.2 p -73.16 -2.32 21.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.229 1.412 . . . . 0.0 114.404 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -61.02 140.79 57.75 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.521 1.528 . . . . 0.0 113.373 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.36 150.85 35.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.96 1.304 . . . . 0.0 111.473 168.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.5 t -137.34 160.33 39.38 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.43 1.092 . . . . 0.0 112.412 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.09 -4.94 58.88 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.085 0.954 . . . . 0.0 112.873 174.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -126.98 133.47 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.193 1.797 . . . . 0.0 110.36 -174.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.78 -38.09 82.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.158 0.983 . . . . 0.0 113.028 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.27 74.36 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.817 0.847 . . . . 0.0 112.798 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -66.28 -42.19 88.79 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.483 -0.761 . . . . 0.0 111.292 175.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.0 tp -63.87 -41.62 97.72 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.713 -0.617 . . . . 0.0 111.794 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -59.53 -38.89 82.2 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.762 -0.586 . . . . 0.0 112.399 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.4 t -72.48 -39.83 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.962 0.905 . . . . 0.0 111.652 173.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -62.43 -39.21 92.58 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.258 -0.901 . . . . 0.0 113.403 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.5 mt -60.09 -30.16 69.06 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.97 -1.081 . . . . 0.0 113.023 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -62.68 -19.45 63.87 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.253 1.021 . . . . 0.0 113.373 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -75.66 -26.8 57.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.507 1.123 . . . . 0.0 112.668 174.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 . . . . . 0 CA--C 1.551 1.009 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -177.156 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 CA--C 1.545 0.75 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.32 141.27 46.86 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.23 142.33 56.98 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.649 1.18 . . . . 0.0 111.378 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -90.36 -6.11 55.41 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.483 1.113 . . . . 0.0 112.562 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -119.56 -21.63 7.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.004 1.322 . . . . 0.0 113.772 -169.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.5 p -145.65 -170.5 3.47 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.854 1.662 . . . . 0.0 112.234 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.2 p -80.77 -0.51 38.93 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.212 1.405 . . . . 0.0 114.776 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -63.8 141.67 58.68 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.5 p -131.52 151.7 51.36 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.37 1.468 . . . . 0.0 111.086 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.8 t -140.74 159.28 42.54 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.094 1.357 . . . . 0.0 111.378 -170.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 tp -102.7 9.05 39.4 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.67 1.188 . . . . 0.0 113.782 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.3 t -142.76 128.62 19.44 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.822 1.649 . . . . 0.0 110.975 173.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -67.55 -31.35 71.37 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.955 0.902 . . . . 0.0 112.164 176.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.59 -45.86 81.34 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.905 0.764 . . . . 0.0 112.349 174.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -68.09 -34.21 75.99 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.821 -0.811 . . . . 0.0 112.13 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.13 -40.77 96.9 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.453 -0.78 . . . . 0.0 112.099 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.93 -43.23 95.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.935 0.789 . . . . 0.0 111.118 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.4 -41.24 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.455 0.702 . . . . 0.0 111.772 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -57.58 -47.19 82.8 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.395 0.998 . . . . 0.0 111.416 171.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.69 -44.93 99.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.476 0.71 . . . . 0.0 111.206 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.69 -43.39 93.66 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.83 -33.49 30.67 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -174.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 t -99.66 -36.63 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.802 0.841 . . . . 0.0 112.54 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -169.257 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 111.183 0.068 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.1 m -136.13 135.76 39.52 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.668 0.787 . . . . 0.0 111.939 -169.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -72.14 129.87 39.5 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.212 1.405 . . . . 0.0 111.228 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -84.31 -6.19 59.36 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.96 -31.79 8.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.471 1.108 . . . . 0.0 113.761 -174.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.79 10.45 3.96 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 59.7 14.18 3.91 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.904 2.082 . . . . 0.0 115.875 175.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -67.54 149.9 49.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.788 1.235 . . . . 0.0 112.261 174.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -118.11 137.03 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.416 1.486 . . . . 0.0 110.791 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -134.82 144.7 47.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.571 1.948 . . . . 0.0 111.31 -173.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -73.49 -29.18 62.34 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -134.54 153.89 51.72 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.954 1.302 . . . . 0.0 112.588 -173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -63.97 -37.91 89.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.623 0.769 . . . . 0.0 112.469 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -64.43 -32.0 73.44 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 m -68.81 -42.29 77.48 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.387 0.675 . . . . 0.0 111.643 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.22 -42.46 88.67 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.972 -0.455 . . . . 0.0 111.751 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.8 -38.82 86.63 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.881 0.873 . . . . 0.0 112.639 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.73 -32.46 63.87 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -67.74 -41.3 83.66 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.532 0.733 . . . . 0.0 112.322 173.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.49 -15.99 21.33 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.908 1.283 . . . . 0.0 114.041 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -61.6 -16.15 45.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.003 1.321 . . . . 0.0 114.234 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 124.415 1.086 . . . . 0.0 113.309 173.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 CA--C 1.534 0.504 0 N-CA-C 114.649 0.98 . . . . 0.0 114.649 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -85.47 81.68 8.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.948 0.88 . . . . 0.0 111.115 -172.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -88.1 138.14 31.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.647 1.579 . . . . 0.0 112.133 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -69.4 135.2 88.73 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.611 1.164 . . . . 0.0 111.452 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -79.27 -9.07 15.21 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.449 2.766 . . . . 0.0 113.251 172.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -115.57 -21.92 9.49 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -171.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.8 p -144.53 -171.7 3.65 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.951 1.251 . . . . 0.0 111.789 172.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 p -71.85 -11.16 60.67 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -50.84 141.49 13.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.537 1.935 . . . . 0.0 114.189 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.84 146.28 30.16 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.656 1.182 . . . . 0.0 111.76 169.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.9 p -136.96 168.6 19.27 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.654 1.182 . . . . 0.0 113.669 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.19 1.23 44.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.144 1.378 . . . . 0.0 113.705 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.0 mt -133.97 124.46 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.484 1.514 . . . . 0.0 109.797 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.04 -36.93 85.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.466 1.107 . . . . 0.0 112.7 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.24 69.16 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.08 0.952 . . . . 0.0 113.098 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -76.9 -40.74 46.3 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.398 -0.814 . . . . 0.0 110.998 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.8 tp -60.73 -39.46 88.7 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.396 -0.815 . . . . 0.0 111.68 170.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -59.32 -34.54 72.46 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.488 1.115 . . . . 0.0 113.006 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.6 t -83.01 -32.55 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.15 0.98 . . . . 0.0 112.026 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -63.1 -41.09 99.31 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.075 -1.015 . . . . 0.0 112.62 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.32 -31.35 71.21 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.883 -1.136 . . . . 0.0 112.612 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -67.18 -10.55 51.59 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -85.18 -16.99 38.51 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.816 1.246 . . . . 0.0 113.33 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 . . . . . 0 CA--C 1.547 0.827 0 C-N-CA 125.304 1.442 . . . . 0.0 112.511 178.459 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.21 142.46 50.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.294 1.038 . . . . 0.0 113.422 -171.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.5 144.74 56.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.085 1.354 . . . . 0.0 112.14 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -87.24 -9.71 54.37 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.485 1.114 . . . . 0.0 112.565 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -122.51 -17.06 7.11 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.865 1.266 . . . . 0.0 114.331 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.7 p -148.58 -171.3 3.82 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.339 1.456 . . . . 0.0 112.166 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 m -81.8 1.03 36.6 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.273 1.429 . . . . 0.0 114.607 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.95 143.96 57.24 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.401 1.08 . . . . 0.0 113.696 -176.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.7 p -137.57 148.63 46.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.102 1.361 . . . . 0.0 111.713 171.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.8 t -145.7 157.98 43.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.314 1.046 . . . . 0.0 112.027 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mp -83.03 9.03 11.14 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.202 1.401 . . . . 0.0 113.441 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 t -141.09 132.52 26.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.397 1.479 . . . . 0.0 111.355 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -68.63 -26.49 65.37 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.525 0.73 . . . . 0.0 112.728 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.2 -44.14 61.13 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 123.92 0.772 . . . . 0.0 112.004 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -66.18 -34.72 78.68 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.876 -0.779 . . . . 0.0 111.567 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.59 -40.88 93.19 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.449 -0.782 . . . . 0.0 112.203 172.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -59.17 -44.25 92.15 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.79 0.723 . . . . 0.0 110.977 173.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.47 -40.75 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.849 0.859 . . . . 0.0 111.894 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -58.47 -47.57 83.6 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.442 1.019 . . . . 0.0 111.556 171.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.44 -47.01 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.611 -0.68 . . . . 0.0 110.695 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.11 -35.82 79.88 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.218 1.007 . . . . 0.0 113.328 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -85.12 -36.19 21.28 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.08 -36.3 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.139 0.976 . . . . 0.0 112.891 -170.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -170.068 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.7 m -134.92 134.98 41.19 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.951 0.796 . . . . 0.0 112.544 -169.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.6 t -77.5 124.9 28.51 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.826 1.65 . . . . 0.0 110.893 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -81.5 -7.09 59.53 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -97.74 -30.74 12.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.091 0.956 . . . . 0.0 113.574 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.9 p -135.83 9.56 3.33 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.2 t30 58.21 23.57 10.43 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.239 1.815 . . . . 0.0 115.195 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -76.78 152.24 35.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.532 1.133 . . . . 0.0 111.692 172.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.0 t -121.86 137.81 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.234 1.414 . . . . 0.0 110.741 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -132.89 150.68 52.14 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.042 2.137 . . . . 0.0 111.35 -172.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -82.78 -18.95 38.81 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.721 1.209 . . . . 0.0 113.947 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -141.44 154.22 45.45 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.346 1.058 . . . . 0.0 112.844 -173.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -61.82 -44.22 97.28 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.59 1.156 . . . . 0.0 112.384 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -64.57 -35.65 81.67 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.318 0.647 . . . . 0.0 112.275 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -63.62 -44.23 94.54 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.353 0.661 . . . . 0.0 111.936 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.2 tp -65.95 -45.66 80.96 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.382 0.537 . . . . 0.0 111.827 172.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -60.94 -39.19 88.5 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.32 0.964 . . . . 0.0 112.964 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.51 -33.53 66.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.312 0.645 . . . . 0.0 112.67 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -65.02 -43.92 90.88 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.413 0.685 . . . . 0.0 112.107 172.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.54 -23.89 52.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.429 1.092 . . . . 0.0 113.772 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -53.41 -30.32 39.58 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.603 1.161 . . . . 0.0 113.614 175.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 pt . . . . . 0 N--CA 1.473 0.723 0 CA-C-N 118.945 0.793 . . . . 0.0 112.949 178.265 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo . . . . . 0 CA--C 1.532 0.413 0 N-CA-C 115.713 1.389 . . . . 0.0 115.713 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -87.31 82.84 7.47 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.981 0.912 . . . . 0.0 111.921 -173.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.52 143.95 42.22 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.121 1.368 . . . . 0.0 111.562 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.8 t -73.27 136.67 78.67 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 124.42 1.088 . . . . 0.0 111.024 169.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -74.78 -9.4 21.06 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.441 2.76 . . . . 0.0 113.339 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -117.14 -24.52 7.48 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 -172.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.8 p -146.16 -175.06 4.61 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.289 1.404 . . . . 0.0 113.381 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -71.75 -1.78 15.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.498 1.519 . . . . 0.0 114.671 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -59.49 139.63 56.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.39 1.476 . . . . 0.0 112.89 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.02 146.24 28.83 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.817 1.247 . . . . 0.0 111.326 168.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -143.09 176.65 8.95 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.247 1.019 . . . . 0.0 113.44 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.25 0.11 36.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.116 1.767 . . . . 0.0 114.115 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.4 mt -134.02 129.73 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.69 1.196 . . . . 0.0 110.425 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -63.57 -38.23 90.32 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.611 1.165 . . . . 0.0 112.838 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.59 76.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.715 0.806 . . . . 0.0 112.712 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.86 -40.22 75.88 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.313 -0.867 . . . . 0.0 111.143 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.6 -39.27 90.62 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.144 0.578 . . . . 0.0 111.883 169.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -61.85 -41.54 97.95 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.074 -1.016 . . . . 0.0 112.351 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.5 t -68.81 -34.45 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.475 -0.765 . . . . 0.0 111.831 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -65.32 -41.96 93.47 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.324 -0.86 . . . . 0.0 112.884 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.8 -33.28 72.75 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.995 -1.065 . . . . 0.0 112.499 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -61.78 -17.1 54.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 172.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -83.6 -16.64 44.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.933 1.293 . . . . 0.0 113.642 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 124.449 1.1 . . . . 0.0 111.48 175.076 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.87 142.91 50.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.237 1.015 . . . . 0.0 113.182 -173.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -64.69 143.86 57.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.999 1.32 . . . . 0.0 111.832 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -86.84 -8.48 57.27 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.402 1.081 . . . . 0.0 112.637 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -123.1 -19.45 6.04 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.923 1.289 . . . . 0.0 114.22 -170.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.41 -171.63 3.78 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.379 1.472 . . . . 0.0 112.372 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.9 m -81.11 0.17 37.35 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.307 1.443 . . . . 0.0 114.632 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.79 145.31 56.02 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.338 1.055 . . . . 0.0 113.836 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.5 p -137.24 152.38 49.77 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.238 1.415 . . . . 0.0 111.816 171.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.7 t -145.59 154.63 42.36 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.335 1.054 . . . . 0.0 111.638 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mp -77.88 -4.83 48.71 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.22 1.008 . . . . 0.0 112.881 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.2 t -123.5 127.32 48.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.579 1.552 . . . . 0.0 111.752 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -67.52 -30.47 70.14 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.436 1.095 . . . . 0.0 111.947 172.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.42 -45.13 81.34 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.967 0.794 . . . . 0.0 112.367 174.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -67.18 -36.09 81.04 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.635 -0.921 . . . . 0.0 111.716 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.0 -38.4 90.94 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.509 -0.744 . . . . 0.0 112.311 172.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.59 -46.02 91.79 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.846 171.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.1 t -58.47 -42.53 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 119.667 1.122 . . . . 0.0 111.532 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -56.66 -47.48 79.7 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.078 0.854 . . . . 0.0 112.022 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.04 -48.04 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.106 -0.997 . . . . 0.0 111.367 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.09 -35.47 73.45 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.385 1.474 . . . . 0.0 112.782 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -91.66 -36.41 13.65 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.5 -36.61 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 118.911 0.778 . . . . 0.0 113.069 -170.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.208 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m -132.68 135.69 45.96 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.738 0.815 . . . . 0.0 112.172 -170.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.27 130.93 40.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.178 1.391 . . . . 0.0 111.649 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.19 -10.32 59.64 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -102.03 -30.7 11.03 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -174.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 p -135.03 3.83 3.2 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 59.43 20.68 9.04 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.245 1.818 . . . . 0.0 115.466 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -68.56 151.91 46.11 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.001 -1.062 . . . . 0.0 111.581 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.16 137.64 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.39 1.476 . . . . 0.0 111.014 -174.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -135.91 148.89 48.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.612 1.965 . . . . 0.0 111.429 -171.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -82.17 -19.67 39.44 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 -176.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -138.04 153.16 49.38 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.622 1.169 . . . . 0.0 112.813 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.56 -41.91 95.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.518 1.127 . . . . 0.0 112.152 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -66.02 -32.57 74.12 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.6 m -67.99 -42.4 80.81 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.318 0.647 . . . . 0.0 111.705 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.81 -45.73 81.23 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.265 0.484 . . . . 0.0 111.556 172.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -59.98 -38.47 82.66 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.267 -0.896 . . . . 0.0 112.776 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.42 64.65 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -66.83 -43.48 83.62 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.571 -0.706 . . . . 0.0 112.33 172.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.9 mt -57.57 -21.09 36.6 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.496 1.118 . . . . 0.0 113.558 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.33 -25.38 34.38 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.385 1.474 . . . . 0.0 114.24 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.5 pt . . . . . 0 N--CA 1.475 0.802 0 CA-C-N 119.206 0.912 . . . . 0.0 112.629 176.788 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 CA--C 1.531 0.373 0 N-CA-C 114.465 0.91 . . . . 0.0 114.465 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -90.06 74.3 7.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 122.287 1.041 . . . . 0.0 110.72 -169.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -78.42 142.59 37.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.979 1.712 . . . . 0.0 111.16 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -70.88 136.15 85.3 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 124.01 0.924 . . . . 0.0 111.128 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.87 -9.9 21.17 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.373 2.715 . . . . 0.0 113.127 173.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -113.74 -27.97 7.61 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.0 p -144.16 -173.69 4.08 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.259 1.391 . . . . 0.0 113.402 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 p -74.85 -1.18 21.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.479 1.512 . . . . 0.0 114.808 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.85 142.41 50.59 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.792 1.637 . . . . 0.0 113.258 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.57 152.36 37.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.068 1.347 . . . . 0.0 112.151 168.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -146.55 167.03 24.71 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.979 0.911 . . . . 0.0 113.205 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.21 0.86 48.97 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.059 1.744 . . . . 0.0 113.308 172.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.39 126.12 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.089 1.355 . . . . 0.0 110.12 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -65.12 -40.55 94.64 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.033 0.933 . . . . 0.0 112.805 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.8 -28.74 69.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.857 0.863 . . . . 0.0 112.737 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -69.9 -43.44 71.74 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.481 -0.762 . . . . 0.0 110.746 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.36 -35.52 79.38 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.751 -0.593 . . . . 0.0 111.925 169.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -61.13 -47.66 85.19 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.632 1.106 . . . . 0.0 111.859 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.36 -33.06 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.092 0.957 . . . . 0.0 111.843 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.09 -44.29 76.58 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.371 -0.831 . . . . 0.0 112.913 173.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.9 mt -64.15 -29.85 70.95 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.603 -1.311 . . . . 0.0 112.578 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -61.65 -16.12 45.82 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 170.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -80.75 -34.43 34.35 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.24 1.016 . . . . 0.0 112.504 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 N--CA 1.471 0.614 0 C-N-CA 124.829 1.252 . . . . 0.0 113.717 179.434 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.72 139.72 51.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.076 0.95 . . . . 0.0 113.19 -170.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.4 t -68.61 144.97 54.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.91 1.284 . . . . 0.0 112.336 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.6 -9.46 49.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.672 1.189 . . . . 0.0 112.433 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -117.72 -22.26 8.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.265 1.426 . . . . 0.0 113.598 -170.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.1 p -146.43 -172.42 3.95 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.857 1.663 . . . . 0.0 112.316 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 m -82.19 2.46 31.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.278 1.431 . . . . 0.0 114.619 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.93 138.15 58.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.548 1.139 . . . . 0.0 113.456 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.1 p -138.74 140.56 38.73 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.056 1.343 . . . . 0.0 111.628 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.6 p -144.66 169.8 17.3 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.68 1.192 . . . . 0.0 113.016 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mp -86.77 -10.12 54.31 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -175.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.2 m -137.81 124.57 21.1 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.235 1.014 . . . . 0.0 112.459 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -62.96 -30.01 71.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.134 0.974 . . . . 0.0 113.333 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.1 -34.3 89.56 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 123.702 0.667 . . . . 0.0 113.455 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -75.3 -31.89 60.8 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.094 0.947 . . . . 0.0 111.909 173.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.45 -43.17 91.19 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.521 -0.737 . . . . 0.0 112.267 171.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -56.65 -45.21 81.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.455 1.102 . . . . 0.0 111.789 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 p -79.08 -25.44 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -60.28 -45.19 94.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.397 -1.44 . . . . 0.0 110.603 167.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.26 -46.11 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.029 0.532 . . . . 0.0 110.588 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.81 -36.21 81.84 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -73.78 -41.29 62.62 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.3 t -102.67 -33.87 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -168.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -168.336 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.3 m -131.69 134.76 46.28 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.576 -0.702 . . . . 0.0 112.2 -169.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.71 129.04 37.31 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.026 1.33 . . . . 0.0 111.314 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.58 -8.33 59.7 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -104.6 -31.49 9.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.435 1.094 . . . . 0.0 113.886 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 p -133.57 7.9 3.87 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.6 t30 58.15 20.06 6.68 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.438 1.895 . . . . 0.0 115.525 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -70.09 150.18 46.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.592 1.157 . . . . 0.0 111.738 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -118.97 136.46 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.21 1.404 . . . . 0.0 110.663 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -132.67 146.37 51.82 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.795 2.038 . . . . 0.0 110.863 -174.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -82.72 -13.23 56.72 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -142.05 150.84 41.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.674 1.19 . . . . 0.0 112.299 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -63.71 -42.67 97.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.281 1.032 . . . . 0.0 112.48 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -64.37 -34.97 79.38 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.361 0.664 . . . . 0.0 112.4 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -64.55 -42.33 95.75 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.33 0.652 . . . . 0.0 112.066 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.8 tp -67.16 -45.4 77.11 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.301 0.501 . . . . 0.0 111.736 172.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -60.1 -38.76 83.93 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.396 0.998 . . . . 0.0 112.739 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.05 -27.86 61.13 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -70.66 -43.42 69.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.046 0.939 . . . . 0.0 112.084 170.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.28 -20.34 41.76 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.603 1.161 . . . . 0.0 113.785 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 mtp-105 -49.28 -28.55 4.86 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.334 1.454 . . . . 0.0 114.438 170.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 pt . . . . . 0 N--CA 1.476 0.83 0 CA-C-N 119.658 1.117 . . . . 0.0 113.629 179.269 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo . . . . . 0 CA--C 1.532 0.414 0 N-CA-C 114.707 1.003 . . . . 0.0 114.707 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -87.52 86.74 7.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.879 0.871 . . . . 0.0 110.856 -175.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.39 143.1 26.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.691 1.596 . . . . 0.0 112.306 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.9 t -73.17 133.34 81.38 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.329 1.052 . . . . 0.0 110.473 171.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -78.66 -8.74 15.92 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.15 2.567 . . . . 0.0 112.625 171.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -113.82 -21.58 10.6 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -171.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -144.46 -171.7 3.65 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.707 1.139 . . . . 0.0 112.516 171.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.7 p -74.37 -1.49 21.2 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.237 1.415 . . . . 0.0 114.531 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -61.77 141.45 57.89 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.563 1.545 . . . . 0.0 113.626 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.45 152.06 35.03 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.761 1.224 . . . . 0.0 111.856 169.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.3 p -141.55 175.05 9.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.958 1.303 . . . . 0.0 113.201 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.59 3.91 37.83 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.239 1.416 . . . . 0.0 113.992 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.2 mt -136.83 124.72 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.838 1.255 . . . . 0.0 110.669 -176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.95 -39.76 93.2 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.782 1.233 . . . . 0.0 113.132 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.15 77.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.567 0.747 . . . . 0.0 112.529 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -34.0 64.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.253 -0.905 . . . . 0.0 111.48 176.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.6 tp -64.49 -38.43 90.99 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.607 -0.683 . . . . 0.0 111.395 169.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -62.31 -42.87 99.73 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.324 0.966 . . . . 0.0 112.08 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.87 -35.34 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.639 0.776 . . . . 0.0 111.82 173.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.22 -44.62 79.08 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 172.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.29 -32.97 72.81 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.655 -1.278 . . . . 0.0 112.189 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -62.75 -13.38 32.15 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.707 1.203 . . . . 0.0 113.972 172.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -85.57 -18.93 31.95 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.022 1.329 . . . . 0.0 113.656 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 124.377 1.071 . . . . 0.0 111.11 175.708 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.48 145.19 50.2 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -168.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.9 t -69.69 145.0 52.68 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.4 1.48 . . . . 0.0 112.396 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.24 -8.16 54.03 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.911 1.285 . . . . 0.0 112.828 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -123.27 -17.09 6.7 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.9 p -148.83 -170.9 3.74 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.512 1.525 . . . . 0.0 112.315 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.5 m -81.21 2.08 29.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.436 1.494 . . . . 0.0 114.719 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.6 138.65 58.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.337 1.055 . . . . 0.0 113.407 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.9 p -137.14 150.04 47.7 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.169 1.388 . . . . 0.0 111.924 170.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.7 p -146.77 178.9 7.96 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.782 1.633 . . . . 0.0 112.36 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.2 mt -113.94 23.96 12.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.985 1.314 . . . . 0.0 112.973 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 t -153.73 137.84 16.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.794 1.238 . . . . 0.0 111.926 170.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -62.6 -25.29 68.01 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 169.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.82 -44.79 88.35 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.074 0.845 . . . . 0.0 112.104 171.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.33 -38.08 89.77 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 117.846 0.823 . . . . 0.0 111.558 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.47 -44.31 94.82 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.243 0.617 . . . . 0.0 111.973 174.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.57 -47.5 85.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.039 0.536 . . . . 0.0 111.068 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.42 -41.98 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.997 0.919 . . . . 0.0 111.524 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.24 -51.44 68.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.782 0.719 . . . . 0.0 112.192 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 98.2 mt -66.42 -44.69 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.169 -0.957 . . . . 0.0 111.099 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -62.82 -25.76 68.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.598 1.159 . . . . 0.0 113.541 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.27 -37.89 9.49 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -98.43 -35.06 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.858 0.863 . . . . 0.0 113.119 -169.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -169.858 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -133.74 134.97 43.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.419 0.687 . . . . 0.0 112.007 -169.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -72.97 130.55 40.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.138 1.375 . . . . 0.0 111.534 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -82.89 -8.85 59.54 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -103.85 -31.33 9.84 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.399 1.079 . . . . 0.0 113.724 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -134.18 8.01 3.7 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 58.38 20.17 7.1 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.392 1.877 . . . . 0.0 115.57 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -71.59 151.04 44.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.672 1.189 . . . . 0.0 111.804 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -118.44 137.25 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.333 1.453 . . . . 0.0 110.785 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -134.53 148.39 50.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.663 1.985 . . . . 0.0 111.381 -172.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -77.26 -23.2 51.26 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -175.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -140.47 155.48 46.66 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.419 1.088 . . . . 0.0 112.654 -172.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -58.8 -44.03 90.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.277 1.031 . . . . 0.0 111.848 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -66.01 -31.76 72.84 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 m -66.15 -45.55 80.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.625 0.77 . . . . 0.0 111.499 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 tp -65.49 -42.98 91.55 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 122.052 -0.405 . . . . 0.0 111.915 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -59.49 -41.32 89.56 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.188 0.903 . . . . 0.0 112.672 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.29 70.88 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -66.27 -42.88 87.86 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.427 0.691 . . . . 0.0 112.152 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.8 mt -57.69 -20.7 35.86 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.439 1.096 . . . . 0.0 113.646 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -58.28 -20.1 39.91 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 pt . . . . . 0 N--CA 1.474 0.741 0 CA-C-N 119.467 1.03 . . . . 0.0 113.221 173.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 CA--C 1.533 0.472 0 N-CA-C 115.017 1.122 . . . . 0.0 115.017 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -85.53 78.1 9.74 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.844 0.831 . . . . 0.0 111.073 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.54 145.55 28.02 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.294 1.837 . . . . 0.0 112.34 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.37 137.3 71.5 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.826 1.25 . . . . 0.0 111.029 172.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.62 -10.56 15.78 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.594 2.863 . . . . 0.0 112.952 173.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -113.25 -24.42 9.39 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -172.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.1 p -145.2 -175.42 4.69 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.271 1.396 . . . . 0.0 113.036 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -72.0 -0.64 12.1 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.306 1.442 . . . . 0.0 114.684 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -61.07 140.12 57.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.456 1.503 . . . . 0.0 113.379 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.57 152.52 38.09 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.141 1.376 . . . . 0.0 111.878 168.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t -145.72 169.97 17.44 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.454 1.101 . . . . 0.0 113.33 174.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.55 -1.04 51.33 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.037 1.735 . . . . 0.0 113.548 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.3 mt -128.4 128.29 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.066 1.346 . . . . 0.0 110.29 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -67.16 -37.35 83.6 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.504 1.121 . . . . 0.0 112.926 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.05 -30.69 71.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.489 0.716 . . . . 0.0 112.585 173.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.2 -39.92 78.34 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.094 -1.004 . . . . 0.0 111.085 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.96 -37.21 81.6 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.837 -0.54 . . . . 0.0 111.562 169.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -64.26 -36.57 84.52 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.758 -1.214 . . . . 0.0 112.83 175.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -72.85 -19.94 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.251 1.42 . . . . 0.0 112.398 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -84.74 -45.38 12.45 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.52 1.128 . . . . 0.0 113.746 170.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.04 -34.15 74.41 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.574 -1.329 . . . . 0.0 112.546 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -64.89 -9.3 20.0 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -84.68 -19.36 32.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.179 1.392 . . . . 0.0 113.135 170.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 . . . . . 0 CA--C 1.551 1.016 0 C-N-CA 125.129 1.372 . . . . 0.0 114.653 176.679 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.54 142.71 48.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.06 0.944 . . . . 0.0 113.115 -174.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.7 t -65.98 145.16 56.22 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.958 1.303 . . . . 0.0 111.96 177.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -87.61 -9.5 54.13 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.462 1.105 . . . . 0.0 112.693 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -121.87 -19.06 6.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.918 1.287 . . . . 0.0 114.124 -169.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.35 -171.37 3.72 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.394 1.478 . . . . 0.0 112.401 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.3 p -82.47 0.83 40.48 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.789 1.636 . . . . 0.0 114.855 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -62.84 143.59 57.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.338 1.055 . . . . 0.0 113.333 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.2 p -134.69 155.39 50.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.691 1.196 . . . . 0.0 112.374 170.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.8 t -144.9 158.22 43.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.902 1.281 . . . . 0.0 112.22 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.4 mt -98.42 8.41 44.9 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.99 1.316 . . . . 0.0 113.299 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.8 t -140.05 126.31 19.99 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.684 1.594 . . . . 0.0 110.719 170.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -19.21 63.35 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 174.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.85 -46.76 28.36 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.014 0.816 . . . . 0.0 111.81 171.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -68.18 -32.13 72.16 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.749 -0.853 . . . . 0.0 111.869 174.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.35 -40.02 96.13 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.209 -0.932 . . . . 0.0 112.267 170.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.42 -41.8 97.73 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.26 -0.9 . . . . 0.0 111.215 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.3 t -63.18 -40.63 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.293 0.637 . . . . 0.0 111.858 174.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -57.32 -46.42 83.25 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.407 1.003 . . . . 0.0 111.489 171.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.81 -45.26 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 O-C-N 121.45 -0.782 . . . . 0.0 110.994 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.14 -35.3 80.12 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -84.91 -37.54 20.46 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.78 -37.01 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.858 0.863 . . . . 0.0 112.672 -170.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -172.724 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 m -133.86 135.73 43.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.466 0.706 . . . . 0.0 112.062 -169.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -70.34 134.17 47.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.113 1.365 . . . . 0.0 111.871 176.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -85.13 -8.78 58.47 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -106.33 -31.71 8.48 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.449 1.1 . . . . 0.0 113.794 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -133.51 6.61 3.8 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 59.31 14.82 3.89 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.368 1.867 . . . . 0.0 115.913 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -64.16 149.81 47.0 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.502 1.121 . . . . 0.0 111.745 170.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -116.81 136.24 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.302 1.441 . . . . 0.0 110.662 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -132.89 145.19 50.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.597 1.959 . . . . 0.0 110.929 -174.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -78.48 -19.43 53.06 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -137.46 150.13 47.36 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.749 1.22 . . . . 0.0 112.347 -171.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -63.48 -42.26 98.57 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.975 0.91 . . . . 0.0 112.06 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -64.3 -35.67 81.62 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.154 0.582 . . . . 0.0 112.47 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.9 m -63.39 -43.5 97.38 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.506 0.723 . . . . 0.0 111.978 174.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.25 -45.34 80.91 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.456 0.571 . . . . 0.0 111.838 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -59.67 -39.49 84.63 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.159 -0.963 . . . . 0.0 112.807 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.4 -33.78 67.4 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -64.99 -43.54 92.24 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.515 0.726 . . . . 0.0 112.346 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.2 mt -58.2 -20.32 40.41 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -56.99 -25.39 58.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.9 1.28 . . . . 0.0 114.021 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 N--CA 1.476 0.85 0 CA-C-N 119.197 0.908 . . . . 0.0 112.565 176.334 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 CA--C 1.536 0.606 0 N-CA-C 115.915 1.467 . . . . 0.0 115.915 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -85.38 84.75 7.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.824 0.738 . . . . 0.0 111.435 -169.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -73.73 141.15 46.36 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.131 1.372 . . . . 0.0 111.894 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -67.54 132.46 92.88 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.41 1.484 . . . . 0.0 110.618 174.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -66.28 -14.93 46.4 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.241 2.627 . . . . 0.0 113.784 170.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -113.43 -25.93 8.57 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -169.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -143.14 -172.64 3.72 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 120.349 1.431 . . . . 0.0 113.178 175.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.1 p -72.91 -3.14 23.94 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.744 1.618 . . . . 0.0 114.428 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -63.98 149.13 48.0 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.585 1.554 . . . . 0.0 113.383 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.5 144.43 28.56 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.553 1.141 . . . . 0.0 111.968 169.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.9 t -119.14 157.54 27.71 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.815 1.246 . . . . 0.0 113.369 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.87 -6.42 58.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.844 1.258 . . . . 0.0 112.774 169.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.2 mt -133.07 128.11 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.97 1.308 . . . . 0.0 110.289 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -63.88 -39.11 93.42 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.69 0.796 . . . . 0.0 112.431 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.58 -24.53 64.61 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.126 0.97 . . . . 0.0 113.475 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -75.58 -40.88 55.93 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.135 -0.978 . . . . 0.0 111.236 170.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.54 -36.26 80.08 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.592 0.633 . . . . 0.0 111.565 172.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.75 -24.63 64.2 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.745 1.218 . . . . 0.0 113.64 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.8 -36.39 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.939 1.295 . . . . 0.0 111.677 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -59.59 -39.3 83.69 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.093 -1.005 . . . . 0.0 113.097 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 mt -59.16 -29.84 67.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.024 -1.048 . . . . 0.0 112.769 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -68.3 -11.02 58.79 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.398 1.479 . . . . 0.0 113.716 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -82.81 -22.31 34.22 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.158 1.383 . . . . 0.0 112.864 172.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 112.948 179.022 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.59 146.99 47.74 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -169.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.83 149.79 49.43 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.466 1.506 . . . . 0.0 112.137 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -96.07 -2.78 45.97 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.191 1.396 . . . . 0.0 112.656 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -125.95 -17.06 5.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.592 1.157 . . . . 0.0 113.985 -172.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.51 -172.3 4.1 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.651 1.58 . . . . 0.0 112.081 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 m -80.96 2.91 24.79 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.346 1.459 . . . . 0.0 114.654 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.99 143.57 57.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.457 1.103 . . . . 0.0 113.66 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 p -137.72 148.3 45.53 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.246 1.418 . . . . 0.0 111.883 171.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.1 t -145.87 162.83 36.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.355 1.062 . . . . 0.0 112.341 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.4 mt -86.91 4.24 42.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.445 1.498 . . . . 0.0 113.855 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.0 t -137.26 132.53 33.89 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.982 1.313 . . . . 0.0 112.316 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -64.55 -33.24 75.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.443 1.097 . . . . 0.0 112.127 170.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.3 76.38 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.816 0.722 . . . . 0.0 112.036 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.37 -35.38 80.19 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.852 -0.793 . . . . 0.0 111.836 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.69 -38.83 84.22 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.567 -0.708 . . . . 0.0 112.05 174.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -60.88 -47.59 85.69 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.568 -0.708 . . . . 0.0 110.945 172.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.39 -41.87 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.634 0.652 . . . . 0.0 111.499 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -56.07 -47.52 77.8 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.076 0.853 . . . . 0.0 111.658 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.51 -45.67 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.094 -1.004 . . . . 0.0 111.303 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -67.23 -21.51 65.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -104.57 -46.86 4.24 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.71 -37.6 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.673 -0.642 . . . . 0.0 111.649 -172.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -171.528 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 110.618 -0.141 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 m -136.1 137.17 40.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.616 0.766 . . . . 0.0 112.36 -170.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -70.23 131.53 44.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.293 1.437 . . . . 0.0 111.618 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.42 -8.55 59.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -107.36 -31.97 7.95 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.451 1.1 . . . . 0.0 113.886 -174.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -132.57 6.52 4.08 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.3 m120 59.47 15.67 4.66 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.302 1.841 . . . . 0.0 115.848 175.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -64.15 149.91 46.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.63 1.172 . . . . 0.0 111.706 170.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.23 136.38 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.217 1.407 . . . . 0.0 110.882 -174.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -134.62 146.75 49.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.679 1.992 . . . . 0.0 110.983 -173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -73.36 -37.29 66.11 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -121.98 149.13 43.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.598 1.159 . . . . 0.0 111.766 -170.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -60.9 -42.17 97.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.723 0.809 . . . . 0.0 112.11 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -66.65 -30.51 70.79 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.2 m -66.16 -42.57 88.8 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.48 0.712 . . . . 0.0 111.581 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.7 tp -66.52 -45.74 78.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 119.131 -0.461 . . . . 0.0 111.79 172.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -58.05 -40.14 80.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.585 1.084 . . . . 0.0 112.446 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.51 62.7 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -69.06 -44.7 72.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.553 0.741 . . . . 0.0 111.985 170.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.76 -19.61 42.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.387 1.075 . . . . 0.0 113.61 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 -47.19 -35.59 7.65 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.844 1.258 . . . . 0.0 114.073 170.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 pt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -178.42 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 CA--C 1.533 0.448 0 N-CA-C 115.316 1.237 . . . . 0.0 115.316 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -92.7 87.82 6.03 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.507 0.67 . . . . 0.0 111.108 -169.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 97.7 mttt -92.54 142.39 27.46 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.814 1.246 . . . . 0.0 112.229 -177.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.3 t -67.36 136.94 93.57 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 125.002 1.321 . . . . 0.0 111.667 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.95 -10.31 24.55 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.318 2.679 . . . . 0.0 113.108 173.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.28 -27.88 7.46 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -145.06 -174.5 4.38 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.44 1.473 . . . . 0.0 113.683 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -72.94 -0.88 14.92 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.407 1.483 . . . . 0.0 114.423 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -59.39 141.92 53.47 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.153 1.381 . . . . 0.0 113.041 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . . . -141.86 148.97 39.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.897 1.279 . . . . 0.0 112.311 171.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p -135.84 159.2 42.39 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.644 1.178 . . . . 0.0 113.109 172.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.49 -0.77 54.43 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.653 1.181 . . . . 0.0 112.874 170.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.15 124.11 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.881 2.073 . . . . 0.0 109.305 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -62.31 -36.81 83.3 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.039 0.936 . . . . 0.0 112.854 -175.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -31.59 72.76 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.849 0.86 . . . . 0.0 112.877 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -71.93 -39.3 69.55 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.426 -0.796 . . . . 0.0 111.107 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.79 -41.48 95.79 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.632 0.651 . . . . 0.0 111.619 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -56.64 -44.87 81.72 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.254 0.622 . . . . 0.0 111.845 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.49 -39.4 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.687 0.795 . . . . 0.0 111.897 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -57.99 -37.25 73.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.403 1.001 . . . . 0.0 113.076 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.59 -29.03 68.94 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.044 -1.035 . . . . 0.0 113.292 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -62.38 -21.35 65.28 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 172.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -77.31 -19.4 56.46 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.533 1.133 . . . . 0.0 113.136 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 124.862 1.265 . . . . 0.0 110.783 169.835 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.69 144.35 47.74 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.03 0.932 . . . . 0.0 112.939 -174.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.5 t -65.6 145.96 55.42 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.386 1.475 . . . . 0.0 112.062 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.03 -8.09 50.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.702 1.201 . . . . 0.0 112.646 175.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -119.27 -20.51 7.9 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.28 1.432 . . . . 0.0 113.561 -170.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.12 -170.1 3.46 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.93 1.692 . . . . 0.0 112.063 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 m -83.63 1.27 43.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.329 1.452 . . . . 0.0 114.723 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -63.07 145.31 55.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.781 1.232 . . . . 0.0 114.02 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -129.8 152.43 49.3 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.013 1.725 . . . . 0.0 112.0 172.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.1 t -145.14 157.33 44.12 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.629 1.172 . . . . 0.0 111.985 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.01 -1.03 57.57 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.102 1.361 . . . . 0.0 112.667 174.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 t -138.01 128.42 26.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.756 1.622 . . . . 0.0 111.483 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -68.17 -27.54 66.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.662 0.785 . . . . 0.0 112.917 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.27 -44.32 66.39 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.95 0.786 . . . . 0.0 112.159 174.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -69.58 -33.26 72.45 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.703 -0.88 . . . . 0.0 111.891 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.73 -38.33 90.63 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.644 -0.66 . . . . 0.0 112.274 171.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.75 -40.83 93.93 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.053 0.842 . . . . 0.0 111.368 173.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.5 t -66.38 -42.42 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.161 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -53.88 -45.7 71.11 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.402 1.455 . . . . 0.0 111.578 172.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.13 -47.92 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.297 -0.877 . . . . 0.0 111.342 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -61.6 -47.7 84.27 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -92.96 -16.75 24.76 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -168.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.4 -45.14 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.185 0.994 . . . . 0.0 112.075 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -169.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 110.867 -0.049 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.0 m -134.64 134.74 41.51 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.764 0.826 . . . . 0.0 111.9 -170.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -71.17 131.95 44.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.131 1.372 . . . . 0.0 111.488 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.06 -7.11 59.48 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.09 -31.59 8.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.549 1.139 . . . . 0.0 113.903 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -133.49 9.31 3.98 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 59.47 13.52 3.3 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.801 2.041 . . . . 0.0 115.824 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -65.86 149.45 50.17 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.719 1.208 . . . . 0.0 111.927 173.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.42 138.04 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.195 1.398 . . . . 0.0 110.88 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -133.37 145.65 50.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.79 2.036 . . . . 0.0 110.984 -173.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.42 -28.8 62.19 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.237 1.015 . . . . 0.0 113.302 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -134.55 153.58 51.88 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.692 1.197 . . . . 0.0 113.038 -170.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -61.5 -45.38 94.47 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.6 1.16 . . . . 0.0 112.408 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -63.28 -35.15 79.41 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.227 0.611 . . . . 0.0 112.485 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 m -63.77 -43.02 97.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.536 0.734 . . . . 0.0 111.952 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 tp -67.38 -44.72 78.26 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.21 0.459 . . . . 0.0 111.942 172.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -57.99 -41.02 82.13 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.428 -0.795 . . . . 0.0 112.61 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.82 -34.0 68.96 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -66.05 -42.77 89.08 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.433 0.693 . . . . 0.0 112.213 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.12 -19.7 47.05 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -59.0 -22.38 60.54 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.81 1.244 . . . . 0.0 114.163 176.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 N--CA 1.474 0.742 0 CA-C-N 119.312 0.96 . . . . 0.0 112.834 176.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 CA--C 1.533 0.453 0 N-CA-C 115.302 1.231 . . . . 0.0 115.302 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -82.23 79.28 8.76 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.852 0.834 . . . . 0.0 111.401 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -84.78 141.58 30.41 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.073 1.749 . . . . 0.0 111.507 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.1 t -70.78 136.62 85.44 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.404 1.082 . . . . 0.0 111.572 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -73.08 -9.9 23.93 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 123.405 2.737 . . . . 0.0 113.131 171.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -117.17 -25.15 7.22 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.7 p -145.18 -172.22 3.82 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.531 1.514 . . . . 0.0 113.631 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.9 p -76.57 -0.53 23.58 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.625 1.57 . . . . 0.0 114.65 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -57.28 139.69 52.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.345 1.458 . . . . 0.0 112.875 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.87 148.37 33.87 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.143 1.377 . . . . 0.0 112.001 169.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 t -145.47 175.96 9.95 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.236 1.015 . . . . 0.0 113.474 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.41 -0.75 42.98 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.964 1.706 . . . . 0.0 114.016 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 mt -135.99 131.64 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.939 1.296 . . . . 0.0 110.442 -177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -62.74 -39.39 93.96 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.11 0.964 . . . . 0.0 112.574 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.61 74.87 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.598 0.759 . . . . 0.0 112.608 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -70.52 -37.6 74.15 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.115 -0.991 . . . . 0.0 111.351 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.24 -36.32 83.27 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.612 -0.68 . . . . 0.0 112.141 169.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -62.99 -41.83 99.68 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.896 -1.127 . . . . 0.0 111.688 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.0 -24.43 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.079 1.352 . . . . 0.0 112.436 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -79.16 -42.43 26.16 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 171.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -60.9 -35.25 76.18 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.656 -1.277 . . . . 0.0 112.617 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -66.37 -8.82 28.01 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -87.99 -11.02 48.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.453 1.501 . . . . 0.0 113.638 171.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 175.384 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.3 141.77 49.71 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.045 0.938 . . . . 0.0 113.321 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.1 t -65.99 145.86 55.38 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.99 1.316 . . . . 0.0 112.344 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -88.07 -10.28 50.68 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.717 1.207 . . . . 0.0 112.611 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -119.95 -20.68 7.41 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.034 1.334 . . . . 0.0 113.995 -170.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.5 p -146.74 -172.88 4.08 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.497 1.519 . . . . 0.0 112.405 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 m -80.55 0.9 31.86 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.184 1.393 . . . . 0.0 114.609 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -63.02 144.68 56.67 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.505 1.122 . . . . 0.0 113.724 -176.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.6 p -134.85 152.85 52.09 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.21 1.404 . . . . 0.0 111.662 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.4 t -144.02 158.6 43.61 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.286 1.034 . . . . 0.0 112.279 177.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.57 -3.54 50.69 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.688 1.595 . . . . 0.0 113.409 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 t -134.27 131.43 38.44 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.193 1.397 . . . . 0.0 111.942 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -21.27 63.21 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 171.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.23 -44.52 28.4 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.104 0.859 . . . . 0.0 111.797 173.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -66.73 -34.67 78.36 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.818 -0.813 . . . . 0.0 111.594 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.0 -40.45 96.38 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.515 -0.741 . . . . 0.0 112.386 173.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.27 -43.01 92.54 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.542 -0.724 . . . . 0.0 111.247 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.73 -40.53 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.311 0.644 . . . . 0.0 111.858 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -55.51 -45.68 77.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.544 1.066 . . . . 0.0 111.224 172.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.55 -47.37 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.408 -0.807 . . . . 0.0 110.728 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.59 -20.9 65.43 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.057 1.502 . . . . 0.0 115.057 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -103.23 -36.97 7.89 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -92.48 -36.92 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.664 0.786 . . . . 0.0 112.278 -174.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -169.679 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 m -120.66 135.69 55.05 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.124 0.97 . . . . 0.0 112.261 -174.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.47 130.83 44.03 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.948 2.099 . . . . 0.0 111.588 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.89 -8.14 59.66 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -105.49 -32.58 8.46 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.317 1.047 . . . . 0.0 113.785 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -133.09 7.04 3.94 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.9 t30 59.29 16.31 4.91 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.474 1.91 . . . . 0.0 115.73 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -68.58 144.35 54.57 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.994 -1.066 . . . . 0.0 110.868 169.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 p -125.17 138.87 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.345 1.058 . . . . 0.0 112.308 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -130.11 148.6 51.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.704 2.401 . . . . 0.0 110.38 -169.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -78.99 -17.7 54.94 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -177.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -136.94 151.28 48.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.757 1.223 . . . . 0.0 112.662 -171.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -62.46 -44.75 95.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.355 1.062 . . . . 0.0 112.482 -177.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -63.44 -36.84 85.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.43 0.692 . . . . 0.0 112.434 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.1 m -63.53 -42.7 98.41 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.583 0.753 . . . . 0.0 112.111 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -69.04 -46.03 68.92 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.34 0.518 . . . . 0.0 111.744 172.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -60.58 -37.46 81.4 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.383 0.992 . . . . 0.0 112.97 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.4 61.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -64.92 -44.46 89.44 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.604 0.638 . . . . 0.0 112.093 171.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.65 -24.11 54.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.523 1.129 . . . . 0.0 113.633 -175.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -51.53 -30.75 21.61 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.207 1.403 . . . . 0.0 114.051 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 pt . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.91 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 CA--C 1.535 0.565 0 N-CA-C 114.896 1.075 . . . . 0.0 114.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -87.42 83.64 7.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.554 0.692 . . . . 0.0 110.786 -172.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -89.33 144.58 25.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.11 1.764 . . . . 0.0 112.354 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.7 t -75.05 137.1 72.66 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.887 1.275 . . . . 0.0 111.437 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.76 -14.87 15.47 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.628 2.885 . . . . 0.0 112.909 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -107.19 -27.34 10.62 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -173.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.5 p -144.62 -175.62 4.73 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.255 1.389 . . . . 0.0 113.135 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -71.95 -1.17 13.5 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.341 1.456 . . . . 0.0 114.625 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -61.05 141.05 57.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.731 1.612 . . . . 0.0 113.611 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.66 151.13 35.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.069 1.348 . . . . 0.0 112.009 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t -142.13 165.09 28.4 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.369 1.068 . . . . 0.0 113.322 174.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.15 -6.53 59.29 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.134 1.374 . . . . 0.0 113.542 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.7 mm -125.23 133.57 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.584 1.554 . . . . 0.0 110.888 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.82 -37.56 84.75 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.816 0.846 . . . . 0.0 112.463 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.15 86.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.72 0.808 . . . . 0.0 112.682 173.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -61.48 -43.45 98.85 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.582 1.083 . . . . 0.0 111.448 172.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 tp -62.83 -36.8 84.39 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.812 -0.555 . . . . 0.0 112.262 174.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -64.38 -42.65 96.05 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.91 1.232 . . . . 0.0 112.588 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.2 -23.63 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.884 1.274 . . . . 0.0 112.126 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -83.07 -44.16 15.48 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.573 1.149 . . . . 0.0 113.715 172.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.43 -33.03 73.99 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.52 -1.363 . . . . 0.0 112.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -65.08 -12.08 46.73 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 173.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -80.84 -19.67 44.08 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.918 1.287 . . . . 0.0 112.783 169.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 . . . . . 0 CA--C 1.55 0.968 0 C-N-CA 125.949 1.7 . . . . 0.0 114.491 179.857 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.59 145.04 46.76 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -169.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.0 t -70.94 146.97 49.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.026 1.33 . . . . 0.0 112.419 176.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -93.86 -9.96 35.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.223 1.409 . . . . 0.0 112.509 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -117.7 -17.96 9.77 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.327 1.451 . . . . 0.0 113.617 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 p -148.56 -173.58 4.37 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.893 1.677 . . . . 0.0 111.934 171.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.2 m -80.94 1.86 29.25 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.262 1.425 . . . . 0.0 114.577 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.93 146.2 54.48 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.7 p -136.03 152.86 51.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.763 1.225 . . . . 0.0 111.985 168.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 27.1 p -144.01 -177.42 5.43 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.345 1.858 . . . . 0.0 110.452 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.79 15.3 21.97 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -174.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -152.8 142.24 21.69 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.615 1.166 . . . . 0.0 112.171 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -60.41 -28.35 68.18 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.772 0.829 . . . . 0.0 112.959 169.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.81 -42.49 78.84 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 123.8 0.714 . . . . 0.0 112.262 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.79 -34.44 78.17 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.696 -0.885 . . . . 0.0 111.569 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.11 -44.59 79.54 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 111.84 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -58.89 -43.26 90.91 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.103 0.961 . . . . 0.0 111.49 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.94 -41.59 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.224 1.01 . . . . 0.0 112.115 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -58.52 -46.89 85.81 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.289 0.95 . . . . 0.0 111.689 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.0 -44.85 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 121.599 -0.688 . . . . 0.0 110.511 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.73 -33.3 73.8 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -89.9 -36.38 15.07 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -102.56 -34.65 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -169.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -169.311 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 CA--C 1.538 0.498 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.8 m -131.5 135.04 46.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.526 0.73 . . . . 0.0 112.364 -169.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -73.87 133.96 43.21 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.309 1.443 . . . . 0.0 111.962 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.28 -10.16 58.69 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -104.23 -32.25 9.2 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -174.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -132.29 3.68 3.98 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.1 t30 58.78 20.37 7.86 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.216 1.806 . . . . 0.0 115.331 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -68.23 152.42 45.49 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.157 -0.964 . . . . 0.0 111.525 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.63 137.73 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.279 1.432 . . . . 0.0 110.755 -176.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -132.89 146.45 51.81 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.711 2.005 . . . . 0.0 111.277 -172.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -79.22 -21.39 46.32 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.86 1.264 . . . . 0.0 113.617 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -137.75 151.83 48.59 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.627 1.171 . . . . 0.0 112.558 -173.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.42 -42.6 95.95 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.096 0.959 . . . . 0.0 112.445 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -63.29 -35.7 81.23 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.28 0.632 . . . . 0.0 112.36 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.1 m -63.41 -43.25 98.05 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.555 0.742 . . . . 0.0 111.89 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.8 -45.87 77.0 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.518 0.599 . . . . 0.0 111.873 172.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -59.29 -40.16 85.27 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.15 0.886 . . . . 0.0 112.584 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.46 -34.88 68.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.314 0.646 . . . . 0.0 112.635 174.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -64.79 -44.04 91.24 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.373 0.669 . . . . 0.0 112.074 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.02 -23.63 54.99 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.984 0.913 . . . . 0.0 113.393 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -63.57 -20.73 65.88 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 pt . . . . . 0 N--CA 1.476 0.838 0 CA-C-N 119.685 1.13 . . . . 0.0 112.489 173.012 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo . . . . . 0 CA--C 1.537 0.662 0 N-CA-C 114.728 1.011 . . . . 0.0 114.728 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -91.55 83.35 5.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.861 0.755 . . . . 0.0 112.348 -169.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.29 145.17 44.18 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.29 1.036 . . . . 0.0 111.766 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.6 t -71.07 137.87 84.76 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.06 1.344 . . . . 0.0 111.003 169.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -75.73 -9.96 19.9 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.467 2.778 . . . . 0.0 113.131 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -113.61 -27.73 7.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -174.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.8 p -143.34 -173.49 3.95 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 120.155 1.343 . . . . 0.0 113.283 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -72.09 -7.84 51.25 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.282 1.433 . . . . 0.0 114.527 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -54.79 140.43 36.34 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.842 1.657 . . . . 0.0 113.413 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.98 150.38 36.83 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.567 1.147 . . . . 0.0 111.866 168.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -134.88 159.35 41.69 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.867 1.267 . . . . 0.0 113.17 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.4 -6.63 58.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.895 1.278 . . . . 0.0 112.912 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.5 mt -128.26 126.08 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.092 1.357 . . . . 0.0 110.291 -174.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -67.27 -34.67 77.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.929 0.892 . . . . 0.0 112.536 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.43 73.87 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.057 0.943 . . . . 0.0 112.766 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -71.38 -39.34 71.27 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.606 -0.684 . . . . 0.0 111.281 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.5 -38.92 89.08 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.422 -0.799 . . . . 0.0 111.614 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -66.96 -12.49 59.82 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 174.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.3 t -95.47 -38.0 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.899 1.28 . . . . 0.0 110.916 168.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.33 -40.05 96.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.287 1.035 . . . . 0.0 113.617 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -59.11 -28.45 66.54 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.158 -0.964 . . . . 0.0 113.171 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -62.06 -22.92 66.16 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.565 1.146 . . . . 0.0 112.826 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -76.94 -19.79 56.95 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.709 1.204 . . . . 0.0 112.999 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 CA--C 1.549 0.906 0 C-N-CA 125.303 1.441 . . . . 0.0 114.35 176.331 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.13 144.21 42.9 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.962 0.905 . . . . 0.0 113.319 -169.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.8 t -71.17 148.08 47.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.198 1.399 . . . . 0.0 112.737 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -95.07 -10.1 31.73 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.328 1.451 . . . . 0.0 112.525 175.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -116.95 -19.81 9.65 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.246 1.419 . . . . 0.0 113.633 -171.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.4 p -146.18 -170.19 3.43 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.8 1.64 . . . . 0.0 111.875 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 p -84.41 1.38 45.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.664 1.586 . . . . 0.0 114.812 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.97 144.84 56.46 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.3 p -138.57 150.43 46.32 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.047 1.339 . . . . 0.0 112.401 171.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.8 p -145.97 173.34 12.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.607 1.563 . . . . 0.0 112.493 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.27 7.44 45.67 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.6 t -144.55 141.68 29.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.039 1.336 . . . . 0.0 112.13 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.15 -29.61 68.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.453 1.101 . . . . 0.0 112.33 172.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.34 -42.64 93.89 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 123.703 0.668 . . . . 0.0 111.784 171.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -65.14 -36.11 83.22 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.794 -0.827 . . . . 0.0 111.666 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.45 -42.73 95.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.433 0.693 . . . . 0.0 111.706 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -58.92 -48.02 82.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.156 0.583 . . . . 0.0 110.779 174.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.89 -42.06 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 118.67 0.668 . . . . 0.0 111.559 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -57.32 -49.43 76.13 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.367 0.985 . . . . 0.0 111.806 174.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.31 -44.82 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.059 -1.026 . . . . 0.0 111.231 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -74.43 -17.57 60.77 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -107.01 -30.39 8.85 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 175.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.72 -39.83 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 119.43 1.014 . . . . 0.0 112.171 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.614 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -133.84 134.36 42.7 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.489 0.715 . . . . 0.0 111.935 -169.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 t -72.58 130.71 41.23 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.982 1.313 . . . . 0.0 111.467 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.37 -7.99 59.48 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -104.54 -31.4 9.46 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.521 1.128 . . . . 0.0 113.86 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 p -133.69 7.37 3.8 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.28 18.36 6.58 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.35 1.86 . . . . 0.0 115.344 175.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -69.31 150.6 47.19 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.959 -1.088 . . . . 0.0 111.795 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.9 t -118.12 136.85 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.459 1.504 . . . . 0.0 110.627 -176.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -133.93 147.38 51.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.636 1.974 . . . . 0.0 111.575 -172.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -77.08 -26.37 53.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.35 1.06 . . . . 0.0 113.632 -175.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -136.1 156.22 49.03 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.649 1.18 . . . . 0.0 112.773 -173.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -61.51 -41.61 97.57 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.133 0.973 . . . . 0.0 111.983 177.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -65.47 -32.13 73.58 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 m -65.75 -45.22 83.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.701 0.8 . . . . 0.0 111.53 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.9 tp -66.29 -43.13 87.17 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.973 -0.454 . . . . 0.0 112.0 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -59.86 -40.52 88.88 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.196 -0.94 . . . . 0.0 112.504 177.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.03 -30.92 64.11 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -68.23 -41.99 80.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.729 0.811 . . . . 0.0 112.149 172.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.0 mt -59.42 -17.04 27.36 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.658 1.183 . . . . 0.0 114.1 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -57.31 -22.95 45.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 pt . . . . . 0 N--CA 1.475 0.81 0 CA-C-N 119.22 0.918 . . . . 0.0 113.097 175.511 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo . . . . . 0 CA--C 1.532 0.381 0 N-CA-C 113.863 0.678 . . . . 0.0 113.863 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -97.92 137.27 37.01 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.244 1.018 . . . . 0.0 110.868 -173.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -124.49 147.61 48.25 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.789 1.635 . . . . 0.0 111.911 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.4 t -71.34 133.47 85.27 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.488 1.115 . . . . 0.0 110.835 173.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.99 -9.29 16.75 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.619 2.879 . . . . 0.0 112.838 172.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -108.54 -29.11 8.94 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.8 p -143.51 -176.52 4.99 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.991 1.268 . . . . 0.0 112.846 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -70.72 -0.51 9.0 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.018 1.327 . . . . 0.0 114.347 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -64.95 145.79 55.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.043 1.737 . . . . 0.0 113.512 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.57 158.77 43.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.784 1.234 . . . . 0.0 112.641 170.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -139.06 153.17 48.03 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.607 1.963 . . . . 0.0 112.904 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.66 -8.1 57.74 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.804 1.241 . . . . 0.0 113.227 169.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.6 131.5 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.317 1.447 . . . . 0.0 110.757 -171.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -66.49 -34.83 78.79 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.653 0.781 . . . . 0.0 112.662 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.76 -28.73 63.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.248 1.019 . . . . 0.0 113.191 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -72.68 -37.9 67.73 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.783 -1.198 . . . . 0.0 110.849 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.8 tp -64.34 -34.86 79.11 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.668 -0.645 . . . . 0.0 112.256 171.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -57.66 -49.87 75.05 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.172 -0.955 . . . . 0.0 111.569 171.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.02 -34.07 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.103 0.961 . . . . 0.0 111.849 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -68.55 -42.18 78.73 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.442 -0.786 . . . . 0.0 112.999 173.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.66 -31.1 72.16 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.48 -1.388 . . . . 0.0 112.243 173.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -65.88 -8.25 21.07 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.656 1.183 . . . . 0.0 113.907 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -87.23 -26.78 23.33 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.837 1.255 . . . . 0.0 112.385 167.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 . . . . . 0 N--CA 1.471 0.589 0 C-N-CA 125.337 1.455 . . . . 0.0 113.954 -178.72 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.49 145.29 49.62 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.451 1.101 . . . . 0.0 113.116 -175.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 45.9 t -64.78 141.72 58.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.194 1.398 . . . . 0.0 111.473 174.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.95 -7.19 59.26 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.302 1.041 . . . . 0.0 112.56 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -121.47 -23.41 5.65 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.167 1.387 . . . . 0.0 113.996 -169.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.4 p -145.72 -170.15 3.39 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.488 1.515 . . . . 0.0 112.368 176.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -81.59 -0.67 43.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.261 1.424 . . . . 0.0 114.766 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -63.47 145.76 54.99 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.307 1.043 . . . . 0.0 113.717 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.2 p -137.9 149.34 46.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.458 1.503 . . . . 0.0 112.033 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.4 t -148.01 150.01 33.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.399 1.08 . . . . 0.0 111.857 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -81.4 -7.4 59.57 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.852 0.861 . . . . 0.0 113.002 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.6 t -112.58 124.26 52.13 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.524 1.53 . . . . 0.0 111.157 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.77 -32.42 72.16 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.95 0.9 . . . . 0.0 111.92 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.87 93.74 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 123.991 0.805 . . . . 0.0 112.505 173.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -68.47 -32.74 72.96 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.676 -0.897 . . . . 0.0 112.286 175.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.72 -40.59 92.36 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.513 -0.742 . . . . 0.0 112.062 171.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.73 -42.2 98.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.325 -0.859 . . . . 0.0 111.561 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.21 -41.36 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.659 0.783 . . . . 0.0 111.64 174.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.06 -46.22 85.76 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.378 0.99 . . . . 0.0 111.636 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.51 -43.9 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 121.502 -0.748 . . . . 0.0 111.099 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -67.39 -30.96 70.87 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -85.5 -39.44 17.45 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -102.35 -30.18 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.232 1.013 . . . . 0.0 113.103 -169.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -169.233 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.2 m -133.43 134.99 44.31 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.514 0.726 . . . . 0.0 111.982 -170.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -72.11 129.26 38.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.217 1.407 . . . . 0.0 111.303 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -82.79 -6.74 59.56 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -106.57 -31.91 8.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.508 1.123 . . . . 0.0 113.786 -174.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -133.37 7.76 3.92 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 60.17 14.82 4.77 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.41 1.884 . . . . 0.0 115.863 175.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -65.45 150.94 47.5 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 111.887 170.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -120.18 137.73 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.289 1.436 . . . . 0.0 110.769 -176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -134.69 148.88 50.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.786 2.034 . . . . 0.0 111.248 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -78.4 -25.48 46.13 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -137.11 154.36 50.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.424 1.09 . . . . 0.0 112.931 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.92 -41.88 92.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.682 1.193 . . . . 0.0 112.268 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -65.72 -32.73 74.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.54 0.736 . . . . 0.0 112.844 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.5 m -67.92 -43.65 78.69 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.455 0.702 . . . . 0.0 111.561 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.73 -43.24 89.63 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.181 0.446 . . . . 0.0 111.9 172.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -61.5 -39.36 90.7 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.428 1.013 . . . . 0.0 112.852 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.91 -31.1 64.43 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -67.87 -42.31 81.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.448 0.699 . . . . 0.0 112.115 170.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.98 -18.5 34.62 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.904 1.282 . . . . 0.0 114.114 -176.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -53.48 -26.65 21.42 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 pt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 176.601 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo . . . . . 0 CA--C 1.534 0.504 0 N-CA-C 112.978 0.338 . . . . 0.0 112.978 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -96.29 114.51 26.2 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.683 0.793 . . . . 0.0 110.957 -175.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -131.69 144.23 50.85 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 128.08 2.552 . . . . 0.0 110.569 -171.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.5 t -72.86 135.94 80.34 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.007 0.923 . . . . 0.0 111.814 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.55 -10.27 18.72 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.533 2.822 . . . . 0.0 113.141 172.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -116.79 -24.09 7.84 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.6 p -143.54 -176.44 4.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 120.333 1.424 . . . . 0.0 113.005 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -71.05 -1.7 13.05 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.015 1.326 . . . . 0.0 114.297 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -62.92 141.69 58.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.667 1.587 . . . . 0.0 113.668 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.73 152.61 36.92 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.461 1.504 . . . . 0.0 110.536 168.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -128.75 -25.9 2.77 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 -169.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 57.73 11.59 1.37 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.941 1.296 . . . . 0.0 114.169 -165.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.0 mt -139.92 123.48 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.356 1.463 . . . . 0.0 110.096 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -59.5 -45.45 91.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.851 1.261 . . . . 0.0 112.661 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.39 -36.03 82.36 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.145 0.978 . . . . 0.0 112.85 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -71.77 -39.72 69.78 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.612 -0.68 . . . . 0.0 111.101 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.67 -38.76 92.35 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.527 -0.733 . . . . 0.0 112.26 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -60.66 -36.03 77.72 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.965 0.906 . . . . 0.0 112.087 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.7 t -79.07 -33.34 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.158 -0.964 . . . . 0.0 112.146 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.08 -40.64 98.25 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.958 -1.088 . . . . 0.0 112.897 174.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.34 -31.93 70.77 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.906 -1.121 . . . . 0.0 112.645 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -66.45 -9.56 35.32 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -86.9 -17.83 32.31 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.162 1.385 . . . . 0.0 113.254 171.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 CA--C 1.545 0.763 0 C-N-CA 124.755 1.222 . . . . 0.0 111.436 175.894 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.82 144.19 51.04 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -169.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.2 t -68.97 145.25 53.76 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.0 1.32 . . . . 0.0 112.504 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -91.63 -9.78 42.77 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.933 1.293 . . . . 0.0 112.425 175.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -118.02 -19.55 9.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.302 1.441 . . . . 0.0 113.679 -171.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.7 p -146.93 -168.18 2.97 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.848 1.659 . . . . 0.0 111.98 172.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.0 p -85.94 1.26 50.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.783 1.633 . . . . 0.0 114.884 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -62.78 144.22 56.72 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.585 1.154 . . . . 0.0 114.103 -175.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.3 p -137.25 148.79 46.69 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.088 1.355 . . . . 0.0 112.448 170.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.3 p -145.65 166.44 25.8 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.487 1.515 . . . . 0.0 112.093 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.3 mt -92.81 12.3 24.04 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.654 1.181 . . . . 0.0 114.112 -176.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.0 t -147.61 140.38 24.81 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.064 1.346 . . . . 0.0 111.907 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -68.03 -25.07 65.2 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.014 0.926 . . . . 0.0 113.005 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.88 -42.83 76.96 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 123.71 0.671 . . . . 0.0 111.783 171.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.75 -34.99 79.12 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.956 -0.732 . . . . 0.0 111.498 172.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.1 tp -66.74 -42.75 85.74 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.654 -0.654 . . . . 0.0 112.051 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.1 -46.83 87.29 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.199 0.6 . . . . 0.0 111.099 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.15 -42.17 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.746 0.818 . . . . 0.0 111.704 175.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -59.52 -47.75 84.31 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.932 0.787 . . . . 0.0 111.995 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.62 -45.63 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 121.444 -0.785 . . . . 0.0 111.046 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -63.21 -39.31 94.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.443 0.697 . . . . 0.0 112.829 178.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -80.0 -40.98 26.77 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -98.42 -36.36 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.96 0.904 . . . . 0.0 113.005 -169.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -170.885 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 119.737 -0.173 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.0 m -136.27 136.93 40.23 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.801 0.84 . . . . 0.0 112.451 -172.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -71.78 131.81 43.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.419 1.488 . . . . 0.0 111.834 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.08 -9.68 59.46 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -105.35 -32.33 8.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -175.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.08 6.97 3.94 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.9 t30 58.15 19.32 5.99 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.242 1.817 . . . . 0.0 115.593 175.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -68.66 151.55 46.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.5 1.12 . . . . 0.0 111.508 170.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -119.41 136.99 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.19 1.396 . . . . 0.0 110.914 -174.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -134.03 148.41 51.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.588 1.955 . . . . 0.0 111.458 -172.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -77.88 -24.19 48.57 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -138.17 151.65 47.93 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.342 1.057 . . . . 0.0 112.463 -169.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.29 -45.78 93.06 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.516 1.126 . . . . 0.0 112.345 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -66.38 -33.52 75.91 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.313 0.645 . . . . 0.0 112.594 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.9 m -63.32 -43.47 97.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.521 0.728 . . . . 0.0 111.647 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.88 -45.53 81.71 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 119.019 -0.515 . . . . 0.0 111.682 171.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.77 -40.58 84.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.731 1.15 . . . . 0.0 112.911 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 -34.52 70.8 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 175.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -64.85 -45.07 87.66 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.849 -0.532 . . . . 0.0 111.942 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -56.47 -25.33 50.57 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.296 1.039 . . . . 0.0 113.282 -175.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -50.91 -32.5 20.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.632 1.173 . . . . 0.0 113.976 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt . . . . . 0 N--CA 1.474 0.767 0 CA-C-N 119.669 1.122 . . . . 0.0 112.69 178.584 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.533 0.462 0 N-CA-C 113.951 0.712 . . . . 0.0 113.951 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -100.12 82.88 2.6 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.346 0.658 . . . . 0.0 111.896 -168.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -74.25 146.03 43.58 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.657 -0.652 . . . . 0.0 111.065 171.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.72 134.5 95.31 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.286 1.034 . . . . 0.0 110.51 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -71.78 -9.82 25.45 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.156 2.571 . . . . 0.0 112.92 173.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -120.02 -22.02 6.86 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.7 p -146.2 -170.25 3.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 120.837 1.653 . . . . 0.0 113.375 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -75.23 0.96 14.74 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.488 1.515 . . . . 0.0 114.193 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -66.96 150.84 48.67 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.91 1.684 . . . . 0.0 113.104 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.22 150.82 36.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.343 1.057 . . . . 0.0 113.443 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 t -133.15 155.02 50.07 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.287 1.835 . . . . 0.0 112.597 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.35 -1.95 43.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.94 1.296 . . . . 0.0 112.74 168.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mt -135.57 129.45 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.76 1.624 . . . . 0.0 109.912 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -65.96 -33.98 77.07 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.465 0.706 . . . . 0.0 112.534 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.1 96.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.911 0.884 . . . . 0.0 112.399 172.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -67.26 -35.42 79.49 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.189 -0.945 . . . . 0.0 111.762 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.08 -33.93 77.2 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.488 -0.757 . . . . 0.0 112.18 171.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -65.47 -39.44 91.96 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 120.019 1.281 . . . . 0.0 112.486 171.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.55 -23.24 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 124.722 1.209 . . . . 0.0 112.205 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -83.49 -44.8 14.32 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.148 0.979 . . . . 0.0 113.347 169.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.55 -32.05 72.94 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.343 -1.473 . . . . 0.0 113.226 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -62.56 -13.28 29.27 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 172.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -81.63 -26.19 35.02 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.944 1.298 . . . . 0.0 112.876 170.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 . . . . . 0 N--CA 1.471 0.605 0 C-N-CA 124.493 1.117 . . . . 0.0 113.408 175.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 CA--C 1.538 0.498 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.24 144.37 50.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.169 0.987 . . . . 0.0 113.308 -170.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.3 t -69.87 145.5 51.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.485 1.514 . . . . 0.0 112.69 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -91.6 -10.2 41.36 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.155 1.382 . . . . 0.0 112.504 176.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -117.38 -22.1 8.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.315 1.446 . . . . 0.0 113.662 -171.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 p -145.24 -171.63 3.7 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.755 1.622 . . . . 0.0 112.238 174.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 m -82.25 0.93 39.05 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.24 1.416 . . . . 0.0 114.586 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -63.42 144.17 57.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.536 1.135 . . . . 0.0 114.058 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.8 p -135.87 149.01 48.86 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.595 1.558 . . . . 0.0 112.058 171.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.9 p -146.45 173.11 12.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.549 1.54 . . . . 0.0 112.101 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 72.8 mt -100.93 11.59 39.3 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -173.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.1 t -147.85 140.37 24.54 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.547 1.139 . . . . 0.0 112.334 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.76 -29.88 71.04 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.872 0.869 . . . . 0.0 112.197 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.09 -42.67 91.78 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 123.833 0.73 . . . . 0.0 112.222 171.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.89 -35.18 80.32 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.728 -0.866 . . . . 0.0 111.632 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.06 -45.59 80.8 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.506 0.722 . . . . 0.0 111.53 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.5 -47.16 82.68 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.436 0.695 . . . . 0.0 111.071 175.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 67.9 t -61.53 -44.85 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.697 0.799 . . . . 0.0 111.496 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -57.12 -47.86 80.06 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.329 0.968 . . . . 0.0 111.672 175.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.64 -47.16 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.612 -0.68 . . . . 0.0 110.846 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -57.77 -46.6 84.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.021 0.928 . . . . 0.0 112.698 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -78.1 -35.7 48.98 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 t -102.25 -34.55 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -169.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 -169.071 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 112.06 -0.416 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -67.92 145.12 54.87 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.532 1.133 . . . . 0.0 113.13 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -80.18 150.13 30.25 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.577 1.151 . . . . 0.0 112.682 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.65 173.97 31.84 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.731 1.158 . . . . 0.0 114.888 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 p -93.35 -14.12 27.27 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.089 1.356 . . . . 0.0 114.596 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -151.31 157.84 43.04 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.28 1.432 . . . . 0.0 112.869 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.63 -170.75 45.99 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.923 1.249 . . . . 0.0 114.073 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -129.5 144.0 51.07 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.393 1.477 . . . . 0.0 111.963 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -135.9 144.99 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.591 1.956 . . . . 0.0 109.125 -172.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -120.2 135.26 55.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.972 1.309 . . . . 0.0 110.536 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.2 m -133.79 136.6 44.61 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.732 0.813 . . . . 0.0 112.142 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.12 134.05 45.55 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.402 1.481 . . . . 0.0 111.687 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -85.38 -7.92 58.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -104.77 -30.48 9.87 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -135.31 5.22 3.23 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 59.83 15.95 5.27 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.553 1.941 . . . . 0.0 115.596 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -64.67 151.04 45.97 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.055 -1.028 . . . . 0.0 112.06 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.52 137.37 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.543 1.537 . . . . 0.0 110.926 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -134.57 146.08 49.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.417 1.887 . . . . 0.0 111.604 -172.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -77.04 -25.46 52.54 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.502 1.121 . . . . 0.0 113.576 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -137.35 152.59 49.87 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.324 1.45 . . . . 0.0 112.051 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -64.11 -34.91 79.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.552 0.741 . . . . 0.0 112.81 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -65.34 -32.85 74.71 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.637 0.653 . . . . 0.0 112.739 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 m -68.2 -40.64 82.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.443 0.697 . . . . 0.0 111.64 173.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.92 -44.04 86.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.018 0.527 . . . . 0.0 111.767 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -60.68 -39.66 89.27 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.157 -0.965 . . . . 0.0 112.613 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.1 67.79 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -66.58 -42.69 86.6 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.652 0.781 . . . . 0.0 112.301 173.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.4 mt -57.88 -19.8 32.0 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.507 1.123 . . . . 0.0 113.856 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -56.12 -29.36 60.55 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.786 1.235 . . . . 0.0 113.521 174.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 pt -73.9 -27.69 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.269 0.94 . . . . 0.0 112.662 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -88.01 -30.59 19.86 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.765 1.226 . . . . 0.0 112.377 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.3 p -76.07 -39.56 55.16 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.844 0.747 . . . . 0.0 111.826 169.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 46.96 44.29 14.55 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.506 1.922 . . . . 0.0 112.681 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.61 -6.85 59.39 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -167.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.73 122.37 80.33 Favored Pre-proline 0 N--CA 1.478 0.934 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.75 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -70.66 -39.51 4.72 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.957 2.438 . . . . 0.0 115.17 -169.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -93.08 87.12 5.61 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.598 0.759 . . . . 0.0 111.108 -171.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -92.33 140.96 29.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.296 1.438 . . . . 0.0 111.963 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.13 134.3 87.43 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 124.425 1.09 . . . . 0.0 110.719 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.06 -13.83 17.1 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.161 2.574 . . . . 0.0 112.45 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -102.78 -31.0 10.52 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -143.06 -176.23 4.83 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.755 1.161 . . . . 0.0 113.086 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -71.65 -0.66 11.35 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.106 1.362 . . . . 0.0 114.503 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.78 143.76 57.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.907 1.683 . . . . 0.0 113.645 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.15 154.8 43.54 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.532 1.133 . . . . 0.0 113.229 170.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -138.1 157.41 46.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.55 1.94 . . . . 0.0 112.233 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.21 -2.44 56.51 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.768 1.227 . . . . 0.0 113.451 169.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.7 mt -136.42 132.4 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.457 1.503 . . . . 0.0 110.608 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -66.07 -37.1 84.97 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.158 0.983 . . . . 0.0 112.669 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.48 -39.91 94.68 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.778 0.831 . . . . 0.0 112.118 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -68.77 -32.28 71.91 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.327 -0.858 . . . . 0.0 111.854 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.42 -37.51 87.15 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.242 -0.911 . . . . 0.0 111.671 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -64.13 -39.3 93.73 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.953 1.252 . . . . 0.0 112.521 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.38 -25.82 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 124.782 1.233 . . . . 0.0 112.215 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -80.56 -45.76 16.86 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.12 -36.21 76.97 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.782 -1.199 . . . . 0.0 112.708 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.61 -20.95 62.08 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -73.18 -28.32 62.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.106 0.962 . . . . 0.0 112.687 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -68.8 -10.3 55.97 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.046 0.938 . . . . 0.0 113.519 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.8 t -122.61 15.88 10.31 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.975 1.71 . . . . 0.0 112.599 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.24 -177.62 51.84 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.036 1.303 . . . . 0.0 114.073 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -139.49 137.13 35.27 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.949 1.3 . . . . 0.0 111.151 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -88.74 149.05 23.65 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.464 1.106 . . . . 0.0 112.78 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -117.33 135.18 54.03 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.937 2.095 . . . . 0.0 108.755 170.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.05 141.06 48.52 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.364 1.066 . . . . 0.0 112.938 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 36.3 t -65.69 145.54 55.89 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.103 1.361 . . . . 0.0 112.668 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -88.38 -10.51 49.09 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.797 1.239 . . . . 0.0 112.519 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -117.61 -22.4 8.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.24 1.416 . . . . 0.0 113.656 -171.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.8 p -146.19 -170.76 3.57 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.803 1.641 . . . . 0.0 112.196 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 m -83.68 1.77 40.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.274 1.43 . . . . 0.0 114.548 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -63.54 144.79 56.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.627 1.171 . . . . 0.0 114.06 -174.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 p -135.02 146.09 48.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.685 1.594 . . . . 0.0 111.92 170.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.8 p -145.4 172.01 13.79 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.924 1.29 . . . . 0.0 111.408 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tp -94.65 13.26 24.86 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -171.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -149.79 136.36 19.21 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.891 1.277 . . . . 0.0 112.106 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -62.87 -27.86 69.64 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 171.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.95 -44.21 69.13 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.873 0.749 . . . . 0.0 111.885 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -64.07 -36.0 82.59 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.93 -0.747 . . . . 0.0 111.39 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.75 -42.54 90.82 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.526 -0.734 . . . . 0.0 112.225 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -59.08 -40.2 84.49 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.661 -0.649 . . . . 0.0 111.325 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.46 -30.35 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.711 1.204 . . . . 0.0 112.43 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -64.92 -48.05 75.54 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.419 -1.426 . . . . 0.0 110.599 168.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.77 -46.52 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.789 0.836 . . . . 0.0 110.775 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -63.38 -27.72 69.5 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -92.19 -40.13 11.17 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.0 t -97.48 -34.37 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.023 0.929 . . . . 0.0 112.779 -169.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -116.04 -22.9 8.75 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -109.0 176.85 4.95 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.058 1.743 . . . . 0.0 111.151 170.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -85.69 143.45 28.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.367 1.067 . . . . 0.0 110.42 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.2 mt -76.35 131.11 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.225 1.01 . . . . 0.0 109.591 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.844 1.657 . . . . 0.0 112.462 -178.278 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 m -66.81 153.29 43.74 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.568 1.147 . . . . 0.0 113.163 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -106.79 168.8 8.94 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.028 1.731 . . . . 0.0 111.671 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.63 -18.72 59.47 Favored Glycine 0 CA--C 1.542 1.728 0 O-C-N 121.108 -0.995 . . . . 0.0 113.919 172.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -91.04 -7.27 52.35 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.94 1.696 . . . . 0.0 114.525 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 m -74.27 155.26 38.45 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.33 1.052 . . . . 0.0 112.812 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.71 -166.03 54.81 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.261 0.934 . . . . 0.0 114.103 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -143.31 159.63 42.0 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.579 1.552 . . . . 0.0 111.957 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.7 mt -137.22 142.49 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 127.174 2.189 . . . . 0.0 108.237 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -120.54 135.75 54.99 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.879 1.272 . . . . 0.0 110.796 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -135.0 134.59 40.64 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.459 0.704 . . . . 0.0 111.972 -170.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.5 t -74.96 127.57 33.54 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.206 1.403 . . . . 0.0 111.123 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.24 -8.49 59.76 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -102.91 -31.29 10.32 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.365 1.066 . . . . 0.0 113.747 -174.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 p -133.9 8.96 3.84 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 58.49 20.93 7.98 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.332 1.853 . . . . 0.0 115.55 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -73.31 151.31 41.36 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.637 1.175 . . . . 0.0 111.842 172.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.5 t -119.58 138.19 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.171 1.388 . . . . 0.0 110.764 -177.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -134.99 149.48 50.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.965 2.106 . . . . 0.0 111.114 -173.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -80.11 -27.39 39.2 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -176.238 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -131.9 154.62 49.03 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.031 0.932 . . . . 0.0 113.04 -173.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -60.32 -41.95 94.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.431 1.093 . . . . 0.0 111.974 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -66.37 -32.75 74.34 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.46 0.704 . . . . 0.0 112.793 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -65.77 -45.82 81.06 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.637 0.775 . . . . 0.0 111.414 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.86 -44.1 86.42 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 122.056 -0.403 . . . . 0.0 111.946 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -61.21 -39.37 89.98 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.537 1.062 . . . . 0.0 112.779 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.45 63.66 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -67.9 -43.73 78.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.325 0.65 . . . . 0.0 111.979 170.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.06 -21.43 45.6 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.899 1.279 . . . . 0.0 113.925 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -52.38 -28.11 18.35 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 pt -75.88 -23.94 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -100.81 -28.93 12.53 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.498 1.519 . . . . 0.0 113.556 -175.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.8 p -82.36 -87.71 0.09 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.165 0.986 . . . . 0.0 113.607 -171.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -156.53 162.57 39.92 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.809 1.244 . . . . 0.0 112.422 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -100.08 156.55 17.12 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.724 1.61 . . . . 0.0 112.314 174.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.33 128.51 82.36 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.469 1.107 . . . . 0.0 110.688 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -74.49 -39.83 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.227 2.618 . . . . 0.0 114.931 -171.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -87.41 77.01 8.96 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.779 0.8 . . . . 0.0 111.211 -171.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.28 143.59 33.53 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.77 1.628 . . . . 0.0 112.035 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.5 t -72.51 136.33 81.05 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 124.409 1.084 . . . . 0.0 111.245 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.44 -9.64 21.67 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.482 2.788 . . . . 0.0 113.093 172.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -116.8 -25.68 7.22 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -145.45 -174.46 4.4 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.386 1.448 . . . . 0.0 113.445 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -72.82 -1.21 15.79 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.313 1.445 . . . . 0.0 114.508 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.92 140.92 56.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.32 1.448 . . . . 0.0 112.983 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.08 150.23 35.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.824 1.25 . . . . 0.0 111.99 169.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -138.16 161.55 36.52 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.648 1.179 . . . . 0.0 113.446 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.7 -4.94 58.41 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.914 1.285 . . . . 0.0 112.854 169.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.0 mt -128.91 128.86 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.159 1.384 . . . . 0.0 110.71 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.78 -38.09 85.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.174 0.99 . . . . 0.0 113.065 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.13 67.86 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.629 0.772 . . . . 0.0 112.943 175.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -70.71 -41.68 71.59 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.146 -0.971 . . . . 0.0 110.533 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.77 -38.43 85.24 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.636 -0.665 . . . . 0.0 111.787 169.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -60.34 -43.22 96.67 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.053 0.842 . . . . 0.0 112.092 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.52 -36.09 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.643 0.777 . . . . 0.0 111.754 174.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -63.93 -43.05 97.03 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.453 -0.779 . . . . 0.0 112.883 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.23 -33.17 71.89 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.054 -1.029 . . . . 0.0 112.672 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.9 mtt-85 -62.5 -20.35 64.51 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.979 0.912 . . . . 0.0 113.396 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -77.73 -23.36 49.4 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.571 1.148 . . . . 0.0 113.466 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -74.63 -0.46 17.97 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.1 t -55.12 -24.82 27.92 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.534 1.534 . . . . 0.0 113.573 169.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -142.88 167.64 26.24 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.589 1.566 . . . . 0.0 112.701 171.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -150.64 159.32 44.59 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.815 1.246 . . . . 0.0 112.602 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -131.31 156.44 45.47 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.872 1.269 . . . . 0.0 112.706 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -124.03 154.25 40.16 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.301 2.241 . . . . 0.0 109.663 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.89 141.89 48.63 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.013 0.925 . . . . 0.0 112.91 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.9 t -66.32 145.34 55.84 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.858 1.263 . . . . 0.0 112.057 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -87.87 -9.76 52.77 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.583 1.153 . . . . 0.0 112.659 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -120.96 -19.8 7.1 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.034 1.334 . . . . 0.0 114.13 -170.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.73 -173.8 4.31 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.304 1.442 . . . . 0.0 112.445 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 m -79.41 0.72 28.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.338 1.455 . . . . 0.0 114.632 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.98 143.15 58.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.43 1.092 . . . . 0.0 113.513 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -130.52 152.51 49.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.069 1.348 . . . . 0.0 111.765 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 t -139.78 159.09 42.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.238 1.415 . . . . 0.0 112.084 -171.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.8 mt -90.96 -4.42 56.49 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.921 1.288 . . . . 0.0 113.387 174.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.3 t -144.29 134.19 23.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.229 1.412 . . . . 0.0 111.998 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -64.92 -26.32 68.26 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.785 0.834 . . . . 0.0 113.179 171.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.22 -47.17 54.32 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.87 0.747 . . . . 0.0 112.132 174.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -70.78 -30.05 66.42 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.556 -0.967 . . . . 0.0 112.196 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.71 -38.77 92.12 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.11 -0.994 . . . . 0.0 112.092 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.92 -42.72 99.42 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.376 -0.828 . . . . 0.0 111.163 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.0 -41.07 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.003 0.82 . . . . 0.0 111.724 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -58.52 -49.51 77.13 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.136 0.88 . . . . 0.0 111.84 171.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.8 -47.92 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.106 -0.997 . . . . 0.0 111.433 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -67.95 -21.34 65.1 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -102.26 -34.52 9.2 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.73 -40.23 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.283 1.033 . . . . 0.0 112.154 -172.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -102.76 -25.66 13.44 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.7 0.8 . . . . 0.0 112.846 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -109.85 165.52 11.64 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.186 1.794 . . . . 0.0 110.356 168.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 52.97 28.6 6.82 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.882 1.673 . . . . 0.0 114.229 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.6 tp -108.85 146.08 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 126.633 1.973 . . . . 0.0 111.424 -172.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.618 1.567 . . . . 0.0 112.082 -178.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.49 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -62.8 -24.5 67.78 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -171.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -80.45 -0.57 37.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.149 1.38 . . . . 0.0 114.029 175.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.13 137.72 5.8 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.737 1.636 . . . . 0.0 112.345 -170.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 p -155.19 160.0 40.55 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.054 1.342 . . . . 0.0 112.518 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -74.34 162.58 28.74 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.973 1.309 . . . . 0.0 113.041 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.06 166.02 48.17 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 124.337 0.97 . . . . 0.0 114.146 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -68.15 157.99 34.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.358 1.063 . . . . 0.0 113.466 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.3 mt -126.91 146.47 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.369 1.867 . . . . 0.0 109.801 -173.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -118.82 139.5 51.51 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.479 1.512 . . . . 0.0 111.001 -175.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -136.14 135.73 39.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.705 0.802 . . . . 0.0 111.988 -171.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.5 t -71.12 133.11 45.98 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.2 1.4 . . . . 0.0 111.759 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -84.26 -9.17 58.73 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -105.21 -31.19 9.23 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.424 1.09 . . . . 0.0 113.767 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -134.5 7.15 3.56 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 m120 59.74 14.69 4.25 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.435 1.894 . . . . 0.0 115.968 174.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -65.69 151.53 46.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.557 1.143 . . . . 0.0 111.926 171.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.15 137.02 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.36 1.464 . . . . 0.0 110.881 -174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -135.53 148.19 49.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.465 1.906 . . . . 0.0 111.721 -172.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -77.11 -28.75 54.51 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -135.14 157.39 47.05 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.478 1.111 . . . . 0.0 113.024 -174.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -59.48 -42.12 91.35 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.818 1.247 . . . . 0.0 112.131 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -67.46 -32.89 74.05 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.405 0.682 . . . . 0.0 112.768 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 m -65.36 -45.76 82.86 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.619 0.768 . . . . 0.0 111.45 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.07 -45.58 84.74 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 122.082 -0.386 . . . . 0.0 111.779 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -60.35 -38.69 84.64 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.01 -1.056 . . . . 0.0 112.878 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.93 -29.72 63.32 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -68.8 -43.7 75.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.796 0.838 . . . . 0.0 112.264 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.6 mt -57.79 -19.07 25.63 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.592 1.157 . . . . 0.0 113.649 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -57.03 -21.25 29.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.827 1.251 . . . . 0.0 114.361 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 pt -80.26 -24.43 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 119.788 1.177 . . . . 0.0 113.436 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -93.52 -21.77 19.26 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.026 1.33 . . . . 0.0 113.281 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.5 p -80.86 -177.0 6.17 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.755 1.222 . . . . 0.0 112.055 171.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -52.94 151.37 4.69 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.288 1.435 . . . . 0.0 113.148 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.06 152.01 21.01 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 175.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -132.77 80.92 60.05 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.386 1.474 . . . . 0.0 110.771 -169.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -66.78 -33.12 35.39 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.525 2.817 . . . . 0.0 114.801 -173.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -84.8 90.48 7.76 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.876 0.87 . . . . 0.0 110.849 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -98.39 141.55 31.14 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.319 1.448 . . . . 0.0 112.397 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.9 t -72.19 132.82 83.98 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.439 1.096 . . . . 0.0 111.042 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -78.92 -8.09 15.53 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.428 2.752 . . . . 0.0 112.975 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -110.27 -29.82 7.98 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.0 p -145.87 179.76 7.24 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.062 1.301 . . . . 0.0 113.314 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -75.56 42.05 0.21 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.334 1.854 . . . . 0.0 113.64 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -110.33 141.91 42.71 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.625 1.97 . . . . 0.0 112.587 -176.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.34 154.65 41.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.256 1.022 . . . . 0.0 112.525 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 t -143.22 167.52 21.93 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.843 1.657 . . . . 0.0 112.825 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.96 0.91 44.95 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.683 1.593 . . . . 0.0 113.481 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.3 mt -133.5 130.93 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.612 1.165 . . . . 0.0 111.148 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -64.55 -41.17 96.5 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.577 1.151 . . . . 0.0 113.006 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.25 83.39 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.741 0.817 . . . . 0.0 112.438 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -66.79 -40.31 88.09 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.522 -0.736 . . . . 0.0 111.63 173.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.2 -35.78 81.91 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.819 0.736 . . . . 0.0 112.167 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -62.45 -43.27 99.21 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.568 1.076 . . . . 0.0 112.118 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.98 -32.6 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 121.394 -0.816 . . . . 0.0 111.897 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -69.16 -41.73 76.85 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.415 -0.803 . . . . 0.0 112.897 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.41 -31.56 72.75 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.544 -1.348 . . . . 0.0 112.309 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -63.04 -11.68 21.03 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 170.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -83.32 -22.32 32.95 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.861 1.264 . . . . 0.0 113.323 169.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -89.95 -25.85 20.69 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.541 1.137 . . . . 0.0 113.912 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 t -73.69 158.17 35.18 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.424 0.69 . . . . 0.0 112.038 171.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.01 -175.99 41.23 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.929 0.776 . . . . 0.0 114.72 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -86.13 169.77 12.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.687 1.595 . . . . 0.0 113.303 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -76.22 157.45 32.64 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.416 1.486 . . . . 0.0 112.581 171.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -119.56 150.0 41.0 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.405 2.282 . . . . 0.0 109.453 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.34 143.05 50.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.35 1.06 . . . . 0.0 112.897 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 39.5 t -65.01 143.5 57.9 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.1 1.36 . . . . 0.0 112.104 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -87.16 -9.4 55.34 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.575 1.15 . . . . 0.0 112.58 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -119.66 -21.42 7.31 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.135 1.374 . . . . 0.0 113.772 -170.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.6 p -145.76 -168.19 2.91 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.57 1.548 . . . . 0.0 112.255 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.9 p -85.04 -0.03 53.08 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.704 1.602 . . . . 0.0 114.808 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -62.85 145.63 54.6 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.575 1.15 . . . . 0.0 113.792 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.4 p -135.42 152.64 51.59 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.606 1.562 . . . . 0.0 111.882 173.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.6 t -145.24 156.28 43.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.498 1.119 . . . . 0.0 111.74 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -80.65 -9.12 59.81 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.375 1.07 . . . . 0.0 112.877 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.5 m -129.33 125.57 37.0 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.326 1.45 . . . . 0.0 111.946 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.85 -31.02 70.56 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.999 0.92 . . . . 0.0 113.002 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.51 -42.08 97.65 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 123.721 0.676 . . . . 0.0 112.818 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -68.87 -34.87 76.17 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.534 -0.98 . . . . 0.0 111.772 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.0 tp -63.04 -40.5 97.91 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.281 -0.887 . . . . 0.0 112.021 170.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -62.72 -40.91 98.66 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.175 -0.953 . . . . 0.0 111.382 173.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.87 -41.59 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.478 0.711 . . . . 0.0 111.815 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -57.8 -44.42 86.31 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.365 0.984 . . . . 0.0 111.721 171.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.68 -45.58 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 O-C-N 121.372 -0.83 . . . . 0.0 111.245 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -64.68 -34.17 77.68 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -85.76 -37.3 19.46 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.6 t -102.01 -34.85 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.114 0.966 . . . . 0.0 112.587 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -116.62 -4.9 11.66 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -170.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -126.42 163.16 23.91 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.915 1.686 . . . . 0.0 111.886 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -137.95 158.4 44.42 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.235 1.814 . . . . 0.0 111.773 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.0 tt -143.91 147.31 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.922 1.689 . . . . 0.0 110.818 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--O 1.25 1.111 0 C-N-CA 126.045 1.738 . . . . 0.0 111.247 178.814 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -147.93 158.47 44.06 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.205 1.402 . . . . 0.0 111.657 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 m -68.52 142.71 55.18 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.699 1.2 . . . . 0.0 113.01 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.54 177.32 53.86 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.461 1.029 . . . . 0.0 113.994 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -73.37 159.69 32.94 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.654 1.182 . . . . 0.0 112.752 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -69.9 141.04 53.2 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.548 -0.72 . . . . 0.0 112.596 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.23 -0.63 88.58 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.902 1.239 . . . . 0.0 115.377 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -70.22 155.55 40.48 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.087 1.444 . . . . 0.0 113.7 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.0 mt -133.7 145.54 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.52 1.928 . . . . 0.0 109.227 -175.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -114.11 137.33 51.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.152 1.381 . . . . 0.0 111.016 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -136.31 135.51 38.98 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.684 0.793 . . . . 0.0 111.756 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.6 t -73.21 128.52 35.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.214 1.406 . . . . 0.0 111.28 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.34 -7.84 59.64 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -104.48 -31.81 9.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.39 1.076 . . . . 0.0 113.827 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.7 8.19 3.85 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.0 t30 58.4 20.18 7.13 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.443 1.897 . . . . 0.0 115.592 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -71.21 151.2 44.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.529 1.132 . . . . 0.0 111.794 171.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.65 137.5 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.287 1.435 . . . . 0.0 110.793 -175.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -135.67 148.57 48.98 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.452 1.901 . . . . 0.0 111.726 -172.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -77.49 -29.19 52.48 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -175.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -134.57 157.54 46.29 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.593 1.157 . . . . 0.0 113.08 -173.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -60.12 -42.46 94.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.564 1.145 . . . . 0.0 111.982 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -66.32 -32.11 73.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.419 0.688 . . . . 0.0 112.752 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.5 m -66.14 -45.88 79.46 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.659 0.784 . . . . 0.0 111.495 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.84 -42.7 90.17 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 122.011 -0.431 . . . . 0.0 112.014 173.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -61.6 -39.03 89.78 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.129 -0.982 . . . . 0.0 112.817 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.99 -32.79 67.57 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.681 -0.637 . . . . 0.0 112.685 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -67.11 -41.77 85.67 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.513 0.725 . . . . 0.0 112.551 171.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.8 mt -59.66 -15.68 21.05 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.942 1.297 . . . . 0.0 114.068 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -56.21 -22.52 29.8 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.938 1.295 . . . . 0.0 113.939 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 pt -84.34 -25.08 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 176.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -100.0 -27.4 13.59 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.097 1.359 . . . . 0.0 113.717 -175.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.5 p -78.13 -170.83 2.11 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.665 1.586 . . . . 0.0 113.048 -177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 68.52 149.11 0.07 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.796 2.439 . . . . 0.0 114.041 -168.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -77.34 -18.05 57.76 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -172.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.05 122.05 75.16 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 124.015 0.926 . . . . 0.0 110.183 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.89 -36.18 2.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.669 2.246 . . . . 0.0 115.788 -168.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -83.57 82.04 8.48 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.354 0.661 . . . . 0.0 111.4 -172.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.92 141.87 45.97 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.862 1.265 . . . . 0.0 111.731 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -72.06 135.81 82.43 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 124.798 1.239 . . . . 0.0 110.796 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.25 -9.34 17.67 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.618 2.879 . . . . 0.0 112.97 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -111.19 -27.95 8.48 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.3 p -141.45 -176.77 4.85 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 120.183 1.356 . . . . 0.0 112.833 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 p -73.1 0.46 11.48 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.04 143.93 57.34 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.642 1.577 . . . . 0.0 113.371 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.85 151.59 38.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.781 1.233 . . . . 0.0 111.858 169.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 t -132.84 161.91 32.93 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.219 1.408 . . . . 0.0 113.312 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.4 -4.75 56.83 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.071 1.348 . . . . 0.0 113.49 170.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.7 mt -132.23 129.69 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.49 1.116 . . . . 0.0 110.659 -176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -66.94 -38.21 85.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.917 0.887 . . . . 0.0 112.576 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.95 -31.45 72.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.116 0.966 . . . . 0.0 112.957 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.12 -41.46 73.9 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.369 -0.832 . . . . 0.0 111.445 172.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.5 -37.19 82.78 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 118.833 0.742 . . . . 0.0 111.927 171.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.0 -32.35 70.78 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.987 0.915 . . . . 0.0 112.539 175.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.9 t -84.4 -31.32 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.58 1.152 . . . . 0.0 112.198 173.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -65.3 -38.93 91.71 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.824 -1.172 . . . . 0.0 112.518 172.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.27 -30.5 71.16 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.805 -1.184 . . . . 0.0 112.681 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -65.59 -9.89 30.7 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 172.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -83.4 -19.62 35.69 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.73 1.212 . . . . 0.0 112.574 168.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -95.65 15.2 20.61 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.239 1.816 . . . . 0.0 114.138 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.8 p -72.33 -10.72 60.16 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.802 1.241 . . . . 0.0 114.087 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.7 -173.54 25.31 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 126.163 1.84 . . . . 0.0 112.301 174.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -130.3 136.53 49.24 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.041 1.337 . . . . 0.0 110.975 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -85.6 148.52 25.88 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -117.47 141.75 47.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.866 2.466 . . . . 0.0 107.96 168.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.95 142.85 50.36 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -170.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.1 t -67.05 143.44 56.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.15 1.38 . . . . 0.0 112.19 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -88.39 -9.5 52.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.671 1.188 . . . . 0.0 112.502 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -118.88 -20.44 8.17 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.147 1.379 . . . . 0.0 113.872 -169.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.6 p -148.25 -169.33 3.32 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.565 1.546 . . . . 0.0 112.232 174.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -82.5 0.74 41.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.434 1.494 . . . . 0.0 114.701 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -62.8 143.44 57.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.255 1.022 . . . . 0.0 113.742 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.1 p -138.01 150.8 47.29 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.23 1.412 . . . . 0.0 111.783 169.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.8 t -145.36 164.26 32.03 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.354 1.062 . . . . 0.0 111.96 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.55 5.58 34.89 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.048 1.339 . . . . 0.0 114.236 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 p -140.71 147.93 39.96 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.814 0.846 . . . . 0.0 112.968 170.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.75 -30.7 69.37 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.171 0.988 . . . . 0.0 112.003 174.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.09 -46.64 90.66 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.155 0.883 . . . . 0.0 112.828 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -67.63 -33.72 75.54 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.183 0.992 . . . . 0.0 111.588 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.3 tp -66.23 -41.16 90.45 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.454 -0.779 . . . . 0.0 112.178 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.87 -44.62 94.07 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.511 0.724 . . . . 0.0 111.117 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.8 t -61.82 -44.46 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 118.835 -0.602 . . . . 0.0 111.296 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -56.29 -48.29 76.92 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.568 1.076 . . . . 0.0 111.826 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.55 -45.94 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 121.421 -0.8 . . . . 0.0 111.267 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -71.39 -25.16 62.23 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -95.63 -33.96 12.17 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.74 -39.98 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.921 0.888 . . . . 0.0 112.375 -174.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -106.17 -23.76 12.51 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -171.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -94.08 152.43 18.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.276 1.03 . . . . 0.0 110.748 168.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -79.0 153.63 30.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.139 1.375 . . . . 0.0 111.869 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.9 tt -73.45 144.14 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.761 1.224 . . . . 0.0 111.293 175.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--O 1.252 1.189 0 C-N-CA 126.519 1.928 . . . . 0.0 111.262 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.472 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -137.33 155.01 49.93 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.127 1.371 . . . . 0.0 112.065 -175.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 m -80.01 52.16 1.47 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.696 1.599 . . . . 0.0 113.273 -176.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.76 168.69 49.29 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.006 1.289 . . . . 0.0 114.457 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -146.29 150.04 35.01 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.347 1.459 . . . . 0.0 111.789 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 m -77.28 -11.07 59.78 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.825 1.25 . . . . 0.0 113.536 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.36 -139.84 40.37 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.027 0.822 . . . . 0.0 112.584 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -127.35 142.39 51.45 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.201 1.4 . . . . 0.0 111.294 173.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -132.44 143.29 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 126.175 1.79 . . . . 0.0 109.049 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -123.06 129.97 52.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.94 1.296 . . . . 0.0 110.215 -171.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.7 m -130.61 136.41 48.84 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.699 0.8 . . . . 0.0 112.408 -169.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -71.05 130.6 41.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.26 1.424 . . . . 0.0 111.598 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.69 -7.63 59.64 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -106.62 -31.72 8.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.48 1.112 . . . . 0.0 113.884 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 p -133.05 6.57 3.92 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.7 15.5 4.78 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.374 1.87 . . . . 0.0 115.803 175.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -64.01 148.34 49.92 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.445 1.098 . . . . 0.0 111.762 170.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.8 t -118.25 136.11 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.343 1.457 . . . . 0.0 110.718 -175.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -132.62 145.2 50.9 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.519 1.928 . . . . 0.0 110.997 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -79.56 -17.91 52.92 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -138.85 148.4 43.66 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.239 1.416 . . . . 0.0 111.725 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -65.3 -36.85 85.33 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -63.33 -33.24 75.1 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 m -67.15 -41.16 86.5 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.574 0.749 . . . . 0.0 111.553 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 tp -67.06 -44.39 80.24 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 122.071 -0.393 . . . . 0.0 111.81 173.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -58.79 -41.91 87.8 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.225 0.92 . . . . 0.0 112.239 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.12 -30.69 63.81 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -68.17 -44.44 75.93 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.326 0.65 . . . . 0.0 111.9 172.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.93 -23.35 53.06 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.6 1.16 . . . . 0.0 113.749 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -50.64 -34.49 26.46 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.173 0.989 . . . . 0.0 113.597 176.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 pt -69.42 -25.88 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -96.29 -39.26 9.73 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.114 1.366 . . . . 0.0 112.505 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.2 p -83.22 -32.99 26.2 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -172.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -85.56 -179.04 6.82 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.033 0.933 . . . . 0.0 113.039 -173.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 67.2 6.85 5.05 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.498 2.319 . . . . 0.0 115.994 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -88.26 127.32 57.57 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.068 0.947 . . . . 0.0 109.199 168.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.93 -39.04 6.63 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.168 2.579 . . . . 0.0 114.632 -170.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -93.79 90.73 6.66 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.304 0.642 . . . . 0.0 110.787 -172.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -96.91 137.6 35.75 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.218 1.407 . . . . 0.0 112.61 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -74.97 126.67 87.97 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 126.182 1.793 . . . . 0.0 110.596 173.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.57 -6.89 17.4 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.042 2.495 . . . . 0.0 113.103 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -111.81 -22.17 11.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -170.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.5 p -140.18 10.4 2.34 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m 60.34 14.55 4.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.805 1.642 . . . . 0.0 115.324 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.6 152.61 21.78 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.074 1.75 . . . . 0.0 110.419 168.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.18 150.36 40.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.1 t -139.22 159.72 41.49 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.529 1.532 . . . . 0.0 113.035 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.09 -3.86 58.52 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.316 1.447 . . . . 0.0 113.44 170.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.5 mt -126.86 129.15 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.954 1.302 . . . . 0.0 110.646 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -65.57 -43.03 91.05 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.143 0.977 . . . . 0.0 112.665 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.15 72.09 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.892 0.877 . . . . 0.0 112.832 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -66.93 -41.91 86.2 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.234 -0.916 . . . . 0.0 111.423 173.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.89 -38.31 90.62 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.747 0.703 . . . . 0.0 111.644 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.8 -37.38 78.95 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.739 0.816 . . . . 0.0 112.353 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -77.07 -35.66 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.19 0.996 . . . . 0.0 111.971 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -63.4 -39.28 94.08 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.997 -1.064 . . . . 0.0 113.117 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.7 mt -62.94 -28.89 70.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.938 -1.101 . . . . 0.0 112.815 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -61.99 -17.92 58.75 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 171.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -75.96 -24.55 55.45 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.352 0.978 . . . . 0.0 112.63 171.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -89.98 75.01 7.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.239 1.415 . . . . 0.0 112.119 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.4 p -125.9 151.43 46.92 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.286 1.434 . . . . 0.0 112.353 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 155.87 170.04 20.79 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.836 1.208 . . . . 0.0 113.342 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -69.42 158.87 34.28 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.521 1.129 . . . . 0.0 112.01 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -111.62 152.51 27.55 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -169.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -123.68 142.68 50.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.508 2.323 . . . . 0.0 107.883 168.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.73 141.91 51.28 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.005 0.82 . . . . 0.0 113.076 -172.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.24 145.43 56.01 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.206 1.403 . . . . 0.0 112.341 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -86.83 -9.62 55.37 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.601 1.16 . . . . 0.0 112.634 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -121.9 -21.98 5.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.935 1.294 . . . . 0.0 114.15 -171.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.0 p -143.14 -171.7 3.53 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.262 1.425 . . . . 0.0 112.461 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.1 p -82.87 1.26 40.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.689 1.596 . . . . 0.0 114.729 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -62.62 139.86 58.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.499 1.12 . . . . 0.0 113.637 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -123.22 148.09 46.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.929 1.691 . . . . 0.0 111.614 170.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.4 t -136.51 153.99 50.86 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.304 1.442 . . . . 0.0 112.07 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.59 -7.47 59.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.268 1.427 . . . . 0.0 112.923 174.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -142.13 133.67 26.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.209 1.404 . . . . 0.0 112.114 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -65.29 -27.39 68.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.002 0.921 . . . . 0.0 112.989 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.32 -46.89 46.92 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.019 0.819 . . . . 0.0 112.049 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -69.78 -30.21 67.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.814 -0.815 . . . . 0.0 112.121 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.45 -39.48 93.89 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.262 -0.898 . . . . 0.0 112.285 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.63 -40.7 95.8 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.34 -0.85 . . . . 0.0 111.394 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 90.1 t -62.74 -43.34 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.617 0.767 . . . . 0.0 111.687 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -57.17 -47.99 79.84 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.094 0.861 . . . . 0.0 111.608 172.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.21 -50.97 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 121.612 -0.68 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -59.55 -39.81 85.2 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.989 0.915 . . . . 0.0 113.038 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -85.3 -36.54 20.78 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.5 t -95.45 -35.62 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.563 0.745 . . . . 0.0 112.452 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -119.47 -40.02 2.83 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -170.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -89.94 7.81 35.51 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -56.57 -28.44 60.21 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.207 1.403 . . . . 0.0 113.041 172.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.7 tp -76.9 -9.41 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 125.684 1.593 . . . . 0.0 114.39 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 128.031 2.533 . . . . 0.0 113.743 -177.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -77.05 162.99 27.07 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.933 1.293 . . . . 0.0 113.267 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 m -65.45 152.41 44.01 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.793 1.237 . . . . 0.0 113.174 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.53 -165.54 28.92 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.64 1.114 . . . . 0.0 113.379 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -68.95 157.37 36.83 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.985 0.914 . . . . 0.0 113.324 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 m -67.3 140.16 57.3 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.179 0.992 . . . . 0.0 112.668 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.14 25.81 3.53 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.195 1.379 . . . . 0.0 114.993 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.59 158.18 32.81 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.385 1.474 . . . . 0.0 112.939 -175.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 mt -140.03 135.62 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 125.624 1.57 . . . . 0.0 108.977 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -133.78 132.76 40.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.31 1.844 . . . . 0.0 109.456 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.4 m -129.17 135.61 49.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.441 0.696 . . . . 0.0 112.547 -169.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -73.53 128.76 36.38 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.24 1.416 . . . . 0.0 111.245 174.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.09 -8.81 59.58 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -103.97 -31.22 9.83 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -174.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.91 3.35 3.47 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 60.9 17.73 8.09 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.286 1.834 . . . . 0.0 115.698 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -63.45 149.41 46.1 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.04 -1.038 . . . . 0.0 111.273 168.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -123.6 138.64 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.135 1.374 . . . . 0.0 111.102 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -134.62 151.06 50.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.172 2.189 . . . . 0.0 110.976 -172.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -80.13 -27.73 39.05 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.298 1.039 . . . . 0.0 113.4 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -129.06 150.9 50.27 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.721 1.208 . . . . 0.0 112.642 -173.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.95 -41.18 97.69 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.341 1.057 . . . . 0.0 112.38 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -64.14 -33.61 76.17 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 m -66.91 -42.65 85.08 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.505 0.722 . . . . 0.0 111.721 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.4 tp -67.51 -44.32 78.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.658 0.383 . . . . 0.0 111.659 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -59.65 -40.46 87.78 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.171 0.896 . . . . 0.0 112.504 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.99 -31.89 64.8 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.29 -43.62 81.27 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.74 -0.6 . . . . 0.0 112.084 172.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.1 mt -59.27 -22.03 60.52 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.501 1.12 . . . . 0.0 113.934 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -52.0 -29.6 21.49 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.728 1.211 . . . . 0.0 113.985 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.5 pt -72.58 -34.16 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 118.467 0.576 . . . . 0.0 111.766 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -91.56 -35.8 14.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.923 1.289 . . . . 0.0 113.436 -175.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.9 p -75.33 140.07 42.85 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.508 0.723 . . . . 0.0 111.693 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -112.17 15.76 20.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -66.49 -20.08 65.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.374 1.07 . . . . 0.0 113.841 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -124.51 103.69 31.79 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 126.177 1.791 . . . . 0.0 109.372 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.93 -34.85 6.06 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.208 2.605 . . . . 0.0 114.823 -170.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -83.81 74.82 10.15 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.951 0.881 . . . . 0.0 111.345 -173.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -77.4 143.11 38.9 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.728 2.011 . . . . 0.0 111.673 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.0 t -73.14 136.17 79.39 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.36 1.064 . . . . 0.0 111.103 173.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.23 -9.22 21.7 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.385 2.723 . . . . 0.0 113.145 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -118.72 -23.76 6.92 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.6 p -145.03 -172.27 3.81 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 120.435 1.471 . . . . 0.0 112.967 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.1 p -73.94 -4.48 35.42 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -55.8 139.63 44.83 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.0 1.32 . . . . 0.0 113.173 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.15 151.31 36.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.184 1.394 . . . . 0.0 111.279 168.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t -145.45 172.59 12.98 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.239 1.015 . . . . 0.0 113.247 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.49 0.1 44.46 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.131 1.772 . . . . 0.0 113.692 175.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.3 mt -129.98 128.9 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.074 1.35 . . . . 0.0 110.317 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -66.86 -37.74 85.02 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.372 1.069 . . . . 0.0 112.99 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.89 74.4 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.471 0.708 . . . . 0.0 112.472 173.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -69.61 -39.37 77.25 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.36 -0.837 . . . . 0.0 111.302 175.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 tp -61.29 -38.13 85.67 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.741 -0.599 . . . . 0.0 112.105 170.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -63.28 -44.12 95.97 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.662 1.119 . . . . 0.0 112.09 173.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.17 -23.98 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.675 1.19 . . . . 0.0 112.523 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -78.18 -43.83 27.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.48 1.112 . . . . 0.0 113.193 169.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.04 -31.2 70.84 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.746 -1.221 . . . . 0.0 112.401 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 mtp-105 -58.62 -15.53 12.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.789 1.236 . . . . 0.0 114.248 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -91.98 -14.21 29.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.682 1.593 . . . . 0.0 113.823 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -79.59 57.28 2.41 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.572 1.149 . . . . 0.0 111.815 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.7 p -129.1 13.09 6.19 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.126 2.171 . . . . 0.0 112.705 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.94 -10.64 61.92 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.326 1.441 . . . . 0.0 115.799 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -121.74 125.75 47.29 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.989 1.315 . . . . 0.0 110.431 169.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -136.0 148.49 48.44 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.56 1.544 . . . . 0.0 110.17 173.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -93.82 130.6 39.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.558 1.543 . . . . 0.0 108.828 175.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.72 141.45 47.24 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.396 1.078 . . . . 0.0 113.855 -169.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 t -68.59 143.62 54.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.09 1.356 . . . . 0.0 112.19 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.41 -8.47 50.52 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.749 1.22 . . . . 0.0 112.423 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -117.37 -22.13 8.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.254 1.422 . . . . 0.0 113.461 -169.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -146.12 -168.16 2.92 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.923 1.689 . . . . 0.0 112.236 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.9 p -84.61 1.07 47.8 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.8 1.64 . . . . 0.0 114.897 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.66 138.74 58.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.299 1.04 . . . . 0.0 113.42 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.1 p -139.55 142.63 37.19 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.201 1.4 . . . . 0.0 111.127 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.4 t -141.38 159.0 43.13 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.13 0.972 . . . . 0.0 113.009 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.55 -12.1 60.38 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.961 1.304 . . . . 0.0 113.164 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.3 t -125.24 131.92 53.04 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.141 1.376 . . . . 0.0 112.423 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -69.01 -30.69 69.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.727 1.211 . . . . 0.0 112.038 172.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.64 -43.37 85.57 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 123.879 0.752 . . . . 0.0 112.179 172.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.44 -35.51 81.17 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.684 -0.892 . . . . 0.0 111.51 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.02 -43.68 91.64 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.415 -0.803 . . . . 0.0 111.898 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -59.13 -42.54 90.86 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.659 -0.65 . . . . 0.0 111.328 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.73 -42.29 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.329 1.052 . . . . 0.0 111.854 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -57.28 -46.96 82.6 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.112 0.869 . . . . 0.0 111.434 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.82 -48.07 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 121.477 -0.764 . . . . 0.0 110.682 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -59.84 -33.49 71.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.552 1.141 . . . . 0.0 113.927 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -96.02 -35.76 11.27 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -174.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.5 t -97.07 -37.1 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.991 0.916 . . . . 0.0 112.431 -171.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -111.84 -36.22 5.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.701 0.8 . . . . 0.0 113.127 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -91.48 173.74 7.74 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.153 1.781 . . . . 0.0 110.833 169.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -108.37 142.6 38.45 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.769 1.628 . . . . 0.0 111.335 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.502 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -102.67 153.81 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.892 1.677 . . . . 0.0 111.989 176.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.073 1.749 . . . . 0.0 111.409 -179.638 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -76.22 155.64 34.27 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.655 1.182 . . . . 0.0 113.226 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 m -76.79 147.03 37.48 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.527 1.131 . . . . 0.0 112.901 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.81 -152.09 52.53 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.336 0.97 . . . . 0.0 114.396 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -147.47 160.68 42.32 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.691 1.596 . . . . 0.0 111.254 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m -133.88 150.36 51.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.294 1.438 . . . . 0.0 112.763 -172.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.58 170.19 37.06 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.827 1.203 . . . . 0.0 114.845 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -151.58 176.94 10.84 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.597 1.959 . . . . 0.0 111.753 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.7 mt -100.11 149.39 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 126.293 1.837 . . . . 0.0 109.15 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.09 139.63 52.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.56 1.544 . . . . 0.0 110.67 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.1 m -136.03 137.83 41.57 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.693 0.797 . . . . 0.0 112.384 -169.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.5 t -69.01 133.71 48.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.722 1.609 . . . . 0.0 111.942 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.43 -9.25 58.56 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.48 -31.11 9.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.414 1.086 . . . . 0.0 113.868 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 p -136.19 3.65 2.89 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.13 15.77 6.58 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -62.92 146.42 52.98 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.945 -1.097 . . . . 0.0 111.6 169.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -115.72 137.73 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.574 1.55 . . . . 0.0 110.927 -172.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -134.76 149.26 50.4 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.326 1.85 . . . . 0.0 111.895 -172.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -71.94 -29.35 64.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.433 1.093 . . . . 0.0 113.622 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -140.38 152.75 46.01 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.686 1.194 . . . . 0.0 111.982 -169.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -66.69 -35.92 81.29 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -66.54 -35.49 80.36 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.693 0.679 . . . . 0.0 112.212 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 m -64.09 -42.23 97.01 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.503 0.721 . . . . 0.0 111.798 173.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.41 -44.73 86.52 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.898 -0.501 . . . . 0.0 111.969 172.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -58.49 -39.66 80.61 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.949 -1.094 . . . . 0.0 112.396 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.33 -30.22 65.94 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -69.73 -44.31 70.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.494 0.717 . . . . 0.0 112.053 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.58 -18.38 29.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.888 1.275 . . . . 0.0 113.654 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -52.96 -33.76 52.56 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.968 0.907 . . . . 0.0 113.318 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 pt -70.21 -25.8 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.595 1.089 . . . . 0.0 113.107 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -96.26 -25.01 15.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.163 1.385 . . . . 0.0 113.068 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.7 p -118.74 -16.37 9.37 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -139.8 46.27 1.88 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.784 1.634 . . . . 0.0 110.919 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -69.58 160.8 30.84 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.015 1.326 . . . . 0.0 114.292 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -118.59 143.51 33.54 Favored Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 126.182 1.793 . . . . 0.0 110.391 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.84 -40.75 6.49 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.658 2.906 . . . . 0.0 115.488 -169.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -88.62 79.94 7.43 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.967 0.889 . . . . 0.0 111.072 -172.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -84.32 143.7 29.34 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.304 1.842 . . . . 0.0 111.787 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.98 135.62 80.22 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 124.31 1.044 . . . . 0.0 111.417 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -74.87 -13.02 21.82 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.408 2.739 . . . . 0.0 112.657 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -111.02 -27.32 8.82 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -173.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -143.24 -174.35 4.18 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 120.819 1.645 . . . . 0.0 113.242 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.2 p -73.16 -2.32 21.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.229 1.412 . . . . 0.0 114.404 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -61.02 140.79 57.75 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.521 1.528 . . . . 0.0 113.373 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.36 150.85 35.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.96 1.304 . . . . 0.0 111.473 168.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.5 t -137.34 160.33 39.38 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.43 1.092 . . . . 0.0 112.412 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.09 -4.94 58.88 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.085 0.954 . . . . 0.0 112.873 174.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -126.98 133.47 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.193 1.797 . . . . 0.0 110.36 -174.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.78 -38.09 82.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.158 0.983 . . . . 0.0 113.028 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.27 74.36 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.817 0.847 . . . . 0.0 112.798 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -66.28 -42.19 88.79 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.483 -0.761 . . . . 0.0 111.292 175.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.0 tp -63.87 -41.62 97.72 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.713 -0.617 . . . . 0.0 111.794 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -59.53 -38.89 82.2 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.762 -0.586 . . . . 0.0 112.399 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.4 t -72.48 -39.83 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.962 0.905 . . . . 0.0 111.652 173.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -62.43 -39.21 92.58 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.258 -0.901 . . . . 0.0 113.403 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.5 mt -60.09 -30.16 69.06 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.97 -1.081 . . . . 0.0 113.023 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -62.68 -19.45 63.87 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.253 1.021 . . . . 0.0 113.373 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -75.66 -26.8 57.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.507 1.123 . . . . 0.0 112.668 174.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -76.78 23.91 0.16 Allowed 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 p -78.56 -20.81 49.77 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.917 -1.115 . . . . 0.0 112.997 169.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.49 172.29 50.65 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.933 1.254 . . . . 0.0 114.236 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -93.79 146.14 24.09 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.376 1.47 . . . . 0.0 111.58 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -85.68 143.94 28.1 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.491 1.516 . . . . 0.0 114.15 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -126.62 154.07 44.48 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.965 2.506 . . . . 0.0 109.36 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.32 141.27 46.86 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -174.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.23 142.33 56.98 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.649 1.18 . . . . 0.0 111.378 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -90.36 -6.11 55.41 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.483 1.113 . . . . 0.0 112.562 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -119.56 -21.63 7.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.004 1.322 . . . . 0.0 113.772 -169.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.5 p -145.65 -170.5 3.47 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.854 1.662 . . . . 0.0 112.234 174.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.2 p -80.77 -0.51 38.93 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.212 1.405 . . . . 0.0 114.776 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -63.8 141.67 58.68 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.5 p -131.52 151.7 51.36 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.37 1.468 . . . . 0.0 111.086 169.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.8 t -140.74 159.28 42.54 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.094 1.357 . . . . 0.0 111.378 -170.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 tp -102.7 9.05 39.4 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.67 1.188 . . . . 0.0 113.782 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.3 t -142.76 128.62 19.44 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.822 1.649 . . . . 0.0 110.975 173.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -67.55 -31.35 71.37 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.955 0.902 . . . . 0.0 112.164 176.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.59 -45.86 81.34 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.905 0.764 . . . . 0.0 112.349 174.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -68.09 -34.21 75.99 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.821 -0.811 . . . . 0.0 112.13 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.13 -40.77 96.9 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.453 -0.78 . . . . 0.0 112.099 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.93 -43.23 95.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.935 0.789 . . . . 0.0 111.118 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.4 -41.24 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.455 0.702 . . . . 0.0 111.772 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -57.58 -47.19 82.8 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.395 0.998 . . . . 0.0 111.416 171.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.69 -44.93 99.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.476 0.71 . . . . 0.0 111.206 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.69 -43.39 93.66 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.83 -33.49 30.67 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -174.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 t -99.66 -36.63 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.802 0.841 . . . . 0.0 112.54 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -115.06 -40.39 3.49 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -169.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -86.61 -2.69 58.71 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -63.74 -28.18 69.71 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.425 1.49 . . . . 0.0 113.125 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.3 mm -115.0 141.12 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.289 1.835 . . . . 0.0 109.779 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.833 1.653 . . . . 0.0 111.291 176.75 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -85.7 179.71 7.02 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.863 1.265 . . . . 0.0 112.847 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -70.31 -10.89 60.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.017 1.327 . . . . 0.0 114.076 169.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.68 8.05 75.92 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.417 1.008 . . . . 0.0 114.097 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -132.28 169.69 16.11 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.613 1.965 . . . . 0.0 111.878 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 p -70.72 -35.87 72.94 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.881 0.872 . . . . 0.0 112.904 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.52 163.35 26.13 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.453 1.502 . . . . 0.0 113.328 170.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -141.56 142.05 33.51 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.481 1.512 . . . . 0.0 111.141 176.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -137.7 146.11 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.281 1.833 . . . . 0.0 109.43 -170.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.88 139.33 52.56 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.28 1.432 . . . . 0.0 111.183 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.1 m -136.13 135.76 39.52 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.668 0.787 . . . . 0.0 111.939 -169.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.8 t -72.14 129.87 39.5 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.212 1.405 . . . . 0.0 111.228 174.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -84.31 -6.19 59.36 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.96 -31.79 8.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.471 1.108 . . . . 0.0 113.761 -174.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 p -133.79 10.45 3.96 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 59.7 14.18 3.91 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.904 2.082 . . . . 0.0 115.875 175.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -67.54 149.9 49.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.788 1.235 . . . . 0.0 112.261 174.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -118.11 137.03 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.416 1.486 . . . . 0.0 110.791 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -134.82 144.7 47.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.571 1.948 . . . . 0.0 111.31 -173.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -73.49 -29.18 62.34 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -134.54 153.89 51.72 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.954 1.302 . . . . 0.0 112.588 -173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -63.97 -37.91 89.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.623 0.769 . . . . 0.0 112.469 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -64.43 -32.0 73.44 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 m -68.81 -42.29 77.48 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.387 0.675 . . . . 0.0 111.643 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.22 -42.46 88.67 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.972 -0.455 . . . . 0.0 111.751 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.8 -38.82 86.63 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.881 0.873 . . . . 0.0 112.639 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.73 -32.46 63.87 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -67.74 -41.3 83.66 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.532 0.733 . . . . 0.0 112.322 173.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.49 -15.99 21.33 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.908 1.283 . . . . 0.0 114.041 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -61.6 -16.15 45.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.003 1.321 . . . . 0.0 114.234 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -87.03 -26.94 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.415 1.086 . . . . 0.0 113.309 173.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -93.93 -35.37 12.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.045 1.338 . . . . 0.0 112.018 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.7 p -87.26 35.63 0.71 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.541 1.936 . . . . 0.0 112.17 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -76.5 42.57 0.29 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.537 1.935 . . . . 0.0 114.919 -168.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -99.02 -18.03 17.98 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.621 1.568 . . . . 0.0 112.804 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -108.07 112.43 61.52 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 126.041 1.736 . . . . 0.0 109.967 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.8 -35.42 4.46 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.18 2.587 . . . . 0.0 114.649 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -85.47 81.68 8.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.948 0.88 . . . . 0.0 111.115 -172.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -88.1 138.14 31.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.647 1.579 . . . . 0.0 112.133 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.7 t -69.4 135.2 88.73 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.611 1.164 . . . . 0.0 111.452 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -79.27 -9.07 15.21 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.449 2.766 . . . . 0.0 113.251 172.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -115.57 -21.92 9.49 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -171.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.8 p -144.53 -171.7 3.65 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.951 1.251 . . . . 0.0 111.789 172.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 p -71.85 -11.16 60.67 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -50.84 141.49 13.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.537 1.935 . . . . 0.0 114.189 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.84 146.28 30.16 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.656 1.182 . . . . 0.0 111.76 169.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.9 p -136.96 168.6 19.27 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.654 1.182 . . . . 0.0 113.669 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.19 1.23 44.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.144 1.378 . . . . 0.0 113.705 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.0 mt -133.97 124.46 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.484 1.514 . . . . 0.0 109.797 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.04 -36.93 85.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.466 1.107 . . . . 0.0 112.7 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.24 69.16 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.08 0.952 . . . . 0.0 113.098 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -76.9 -40.74 46.3 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.398 -0.814 . . . . 0.0 110.998 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.8 tp -60.73 -39.46 88.7 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.396 -0.815 . . . . 0.0 111.68 170.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -59.32 -34.54 72.46 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.488 1.115 . . . . 0.0 113.006 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.6 t -83.01 -32.55 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.15 0.98 . . . . 0.0 112.026 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -63.1 -41.09 99.31 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.075 -1.015 . . . . 0.0 112.62 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.32 -31.35 71.21 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.883 -1.136 . . . . 0.0 112.612 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -67.18 -10.55 51.59 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -85.18 -16.99 38.51 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.816 1.246 . . . . 0.0 113.33 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -82.97 53.53 2.46 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.304 1.442 . . . . 0.0 112.511 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.8 p -87.62 146.06 25.91 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.187 1.395 . . . . 0.0 111.956 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.8 17.16 73.0 Favored Glycine 0 CA--C 1.539 1.561 0 N-CA-C 115.212 0.845 . . . . 0.0 115.212 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -73.3 167.56 20.96 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.029 1.332 . . . . 0.0 112.157 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -79.81 147.15 31.91 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.145 0.978 . . . . 0.0 113.278 175.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -123.43 148.58 46.0 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.883 2.473 . . . . 0.0 108.967 170.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.21 142.46 50.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.294 1.038 . . . . 0.0 113.422 -171.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.5 144.74 56.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.085 1.354 . . . . 0.0 112.14 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -87.24 -9.71 54.37 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.485 1.114 . . . . 0.0 112.565 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -122.51 -17.06 7.11 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.865 1.266 . . . . 0.0 114.331 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.7 p -148.58 -171.3 3.82 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.339 1.456 . . . . 0.0 112.166 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 m -81.8 1.03 36.6 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.273 1.429 . . . . 0.0 114.607 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.95 143.96 57.24 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.401 1.08 . . . . 0.0 113.696 -176.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.7 p -137.57 148.63 46.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.102 1.361 . . . . 0.0 111.713 171.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 11.8 t -145.7 157.98 43.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.314 1.046 . . . . 0.0 112.027 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mp -83.03 9.03 11.14 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.202 1.401 . . . . 0.0 113.441 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 t -141.09 132.52 26.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.397 1.479 . . . . 0.0 111.355 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -68.63 -26.49 65.37 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.525 0.73 . . . . 0.0 112.728 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.2 -44.14 61.13 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 123.92 0.772 . . . . 0.0 112.004 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -66.18 -34.72 78.68 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.876 -0.779 . . . . 0.0 111.567 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.59 -40.88 93.19 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.449 -0.782 . . . . 0.0 112.203 172.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -59.17 -44.25 92.15 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.79 0.723 . . . . 0.0 110.977 173.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.47 -40.75 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.849 0.859 . . . . 0.0 111.894 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -58.47 -47.57 83.6 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.442 1.019 . . . . 0.0 111.556 171.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.44 -47.01 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 O-C-N 121.611 -0.68 . . . . 0.0 110.695 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.11 -35.82 79.88 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.218 1.007 . . . . 0.0 113.328 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -85.12 -36.19 21.28 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.08 -36.3 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.139 0.976 . . . . 0.0 112.891 -170.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -115.31 -20.99 10.1 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -170.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.19 170.34 8.16 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.35 1.46 . . . . 0.0 111.814 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -103.59 144.64 31.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.697 1.599 . . . . 0.0 110.998 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.1 mm -129.63 141.64 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.031 1.733 . . . . 0.0 109.922 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.046 1.738 . . . . 0.0 111.197 178.023 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 m 61.14 168.92 0.1 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.529 1.931 . . . . 0.0 115.081 -175.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -149.17 154.13 38.7 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.012 1.325 . . . . 0.0 111.735 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.6 168.23 54.26 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.692 1.139 . . . . 0.0 114.415 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -150.37 150.02 30.86 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.036 1.334 . . . . 0.0 111.529 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -76.18 147.28 38.55 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.724 1.21 . . . . 0.0 112.934 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.55 -177.21 44.5 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.381 0.991 . . . . 0.0 113.937 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -141.03 154.68 46.11 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.234 1.814 . . . . 0.0 111.017 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.7 mt -107.56 144.35 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 126.155 1.782 . . . . 0.0 109.591 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -130.56 139.46 50.46 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.126 1.77 . . . . 0.0 110.213 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.7 m -134.92 134.98 41.19 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.951 0.796 . . . . 0.0 112.544 -169.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.6 t -77.5 124.9 28.51 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.826 1.65 . . . . 0.0 110.893 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -81.5 -7.09 59.53 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -97.74 -30.74 12.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.091 0.956 . . . . 0.0 113.574 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.9 p -135.83 9.56 3.33 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.2 t30 58.21 23.57 10.43 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.239 1.815 . . . . 0.0 115.195 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -76.78 152.24 35.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.532 1.133 . . . . 0.0 111.692 172.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.0 t -121.86 137.81 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.234 1.414 . . . . 0.0 110.741 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -132.89 150.68 52.14 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.042 2.137 . . . . 0.0 111.35 -172.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -82.78 -18.95 38.81 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.721 1.209 . . . . 0.0 113.947 -176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -141.44 154.22 45.45 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.346 1.058 . . . . 0.0 112.844 -173.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -61.82 -44.22 97.28 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.59 1.156 . . . . 0.0 112.384 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -64.57 -35.65 81.67 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.318 0.647 . . . . 0.0 112.275 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -63.62 -44.23 94.54 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.353 0.661 . . . . 0.0 111.936 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.2 tp -65.95 -45.66 80.96 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.382 0.537 . . . . 0.0 111.827 172.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -60.94 -39.19 88.5 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.32 0.964 . . . . 0.0 112.964 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.51 -33.53 66.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.312 0.645 . . . . 0.0 112.67 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -65.02 -43.92 90.88 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.413 0.685 . . . . 0.0 112.107 172.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.54 -23.89 52.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.429 1.092 . . . . 0.0 113.772 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -53.41 -30.32 39.58 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.603 1.161 . . . . 0.0 113.614 175.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 pt -71.27 -26.85 27.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.945 0.793 . . . . 0.0 112.949 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -93.98 -35.83 12.44 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.017 1.327 . . . . 0.0 112.645 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.5 p -81.82 -26.28 34.47 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -91.64 152.37 20.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.105 0.962 . . . . 0.0 113.197 -177.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.23 157.68 16.02 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.887 1.675 . . . . 0.0 113.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -134.17 102.73 11.86 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 126.339 1.856 . . . . 0.0 108.29 -177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -67.06 -35.23 26.18 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.672 2.248 . . . . 0.0 115.713 -168.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -87.31 82.84 7.47 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.981 0.912 . . . . 0.0 111.921 -173.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.52 143.95 42.22 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.121 1.368 . . . . 0.0 111.562 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.8 t -73.27 136.67 78.67 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 124.42 1.088 . . . . 0.0 111.024 169.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -74.78 -9.4 21.06 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.441 2.76 . . . . 0.0 113.339 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -117.14 -24.52 7.48 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 -172.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.8 p -146.16 -175.06 4.61 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.289 1.404 . . . . 0.0 113.381 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -71.75 -1.78 15.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.498 1.519 . . . . 0.0 114.671 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -59.49 139.63 56.94 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.39 1.476 . . . . 0.0 112.89 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.02 146.24 28.83 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.817 1.247 . . . . 0.0 111.326 168.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.2 t -143.09 176.65 8.95 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.247 1.019 . . . . 0.0 113.44 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.25 0.11 36.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.116 1.767 . . . . 0.0 114.115 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.4 mt -134.02 129.73 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.69 1.196 . . . . 0.0 110.425 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -63.57 -38.23 90.32 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.611 1.165 . . . . 0.0 112.838 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.59 76.19 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.715 0.806 . . . . 0.0 112.712 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.86 -40.22 75.88 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.313 -0.867 . . . . 0.0 111.143 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.6 -39.27 90.62 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.144 0.578 . . . . 0.0 111.883 169.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -61.85 -41.54 97.95 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.074 -1.016 . . . . 0.0 112.351 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.5 t -68.81 -34.45 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.475 -0.765 . . . . 0.0 111.831 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -65.32 -41.96 93.47 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.324 -0.86 . . . . 0.0 112.884 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.8 -33.28 72.75 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.995 -1.065 . . . . 0.0 112.499 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -61.78 -17.1 54.77 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 172.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -83.6 -16.64 44.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.933 1.293 . . . . 0.0 113.642 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -81.3 67.39 7.22 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.449 1.1 . . . . 0.0 111.48 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.6 p -85.28 -15.98 41.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.368 1.467 . . . . 0.0 114.362 -175.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.24 9.45 86.8 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 124.388 0.994 . . . . 0.0 114.513 -172.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.66 144.91 56.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.993 1.317 . . . . 0.0 111.221 174.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -66.98 146.66 54.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.584 1.154 . . . . 0.0 113.379 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -113.51 149.45 34.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.437 2.295 . . . . 0.0 108.918 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.87 142.91 50.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.237 1.015 . . . . 0.0 113.182 -173.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -64.69 143.86 57.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.999 1.32 . . . . 0.0 111.832 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -86.84 -8.48 57.27 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.402 1.081 . . . . 0.0 112.637 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -123.1 -19.45 6.04 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.923 1.289 . . . . 0.0 114.22 -170.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.41 -171.63 3.78 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.379 1.472 . . . . 0.0 112.372 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.9 m -81.11 0.17 37.35 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.307 1.443 . . . . 0.0 114.632 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.79 145.31 56.02 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.338 1.055 . . . . 0.0 113.836 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.5 p -137.24 152.38 49.77 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.238 1.415 . . . . 0.0 111.816 171.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.7 t -145.59 154.63 42.36 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.335 1.054 . . . . 0.0 111.638 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mp -77.88 -4.83 48.71 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.22 1.008 . . . . 0.0 112.881 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.2 t -123.5 127.32 48.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.579 1.552 . . . . 0.0 111.752 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -67.52 -30.47 70.14 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.436 1.095 . . . . 0.0 111.947 172.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.42 -45.13 81.34 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.967 0.794 . . . . 0.0 112.367 174.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -67.18 -36.09 81.04 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.635 -0.921 . . . . 0.0 111.716 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.0 -38.4 90.94 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.509 -0.744 . . . . 0.0 112.311 172.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.59 -46.02 91.79 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.846 171.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.1 t -58.47 -42.53 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 119.667 1.122 . . . . 0.0 111.532 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -56.66 -47.48 79.7 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.078 0.854 . . . . 0.0 112.022 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.04 -48.04 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.106 -0.997 . . . . 0.0 111.367 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.09 -35.47 73.45 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.385 1.474 . . . . 0.0 112.782 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -91.66 -36.41 13.65 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -99.5 -36.61 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 118.911 0.778 . . . . 0.0 113.069 -170.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -116.76 -26.56 6.92 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -79.35 42.01 0.48 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.339 1.455 . . . . 0.0 113.774 -175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.28 137.87 45.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.934 1.294 . . . . 0.0 111.062 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.9 mm -105.16 137.62 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.259 1.424 . . . . 0.0 109.934 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.261 1.825 . . . . 0.0 111.568 -178.872 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 112.139 -0.384 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -67.18 148.63 51.54 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.496 1.118 . . . . 0.0 112.955 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -76.41 151.99 36.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.012 0.925 . . . . 0.0 112.426 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.63 162.25 27.87 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.95 1.262 . . . . 0.0 113.256 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.7 p -153.41 164.55 37.97 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.342 1.457 . . . . 0.0 112.498 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.1 m -132.42 142.89 49.46 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.394 1.477 . . . . 0.0 111.444 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.46 152.96 43.84 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.083 0.849 . . . . 0.0 113.651 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -147.03 150.7 35.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.792 1.637 . . . . 0.0 111.099 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -131.16 142.2 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.953 1.701 . . . . 0.0 109.43 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -123.31 136.79 54.85 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.728 1.611 . . . . 0.0 110.447 -175.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m -132.68 135.69 45.96 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.738 0.815 . . . . 0.0 112.172 -170.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.27 130.93 40.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.178 1.391 . . . . 0.0 111.649 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.19 -10.32 59.64 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -102.03 -30.7 11.03 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -174.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 p -135.03 3.83 3.2 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 59.43 20.68 9.04 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.245 1.818 . . . . 0.0 115.466 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -68.56 151.91 46.11 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.001 -1.062 . . . . 0.0 111.581 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.16 137.64 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.39 1.476 . . . . 0.0 111.014 -174.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -135.91 148.89 48.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.612 1.965 . . . . 0.0 111.429 -171.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -82.17 -19.67 39.44 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 -176.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -138.04 153.16 49.38 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.622 1.169 . . . . 0.0 112.813 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.56 -41.91 95.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.518 1.127 . . . . 0.0 112.152 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -66.02 -32.57 74.12 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.6 m -67.99 -42.4 80.81 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.318 0.647 . . . . 0.0 111.705 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.81 -45.73 81.23 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.265 0.484 . . . . 0.0 111.556 172.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -59.98 -38.47 82.66 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.267 -0.896 . . . . 0.0 112.776 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.42 64.65 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -66.83 -43.48 83.62 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.571 -0.706 . . . . 0.0 112.33 172.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.9 mt -57.57 -21.09 36.6 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.496 1.118 . . . . 0.0 113.558 -177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.33 -25.38 34.38 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.385 1.474 . . . . 0.0 114.24 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.5 pt -77.37 -30.43 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 119.206 0.912 . . . . 0.0 112.629 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -86.64 -33.63 20.06 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.751 1.22 . . . . 0.0 111.781 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.7 p -80.35 66.11 5.74 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.713 1.205 . . . . 0.0 111.006 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.27 28.74 0.19 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.491 1.517 . . . . 0.0 113.958 -173.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -81.26 1.04 34.14 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.368 1.867 . . . . 0.0 113.169 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -57.86 120.32 41.14 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 127.335 2.254 . . . . 0.0 110.194 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.93 -36.88 4.05 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.106 2.537 . . . . 0.0 114.465 -168.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -90.06 74.3 7.22 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 122.287 1.041 . . . . 0.0 110.72 -169.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -78.42 142.59 37.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.979 1.712 . . . . 0.0 111.16 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.7 t -70.88 136.15 85.3 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 124.01 0.924 . . . . 0.0 111.128 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.87 -9.9 21.17 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.373 2.715 . . . . 0.0 113.127 173.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -113.74 -27.97 7.61 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.0 p -144.16 -173.69 4.08 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.259 1.391 . . . . 0.0 113.402 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 p -74.85 -1.18 21.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.479 1.512 . . . . 0.0 114.808 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.85 142.41 50.59 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.792 1.637 . . . . 0.0 113.258 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.57 152.36 37.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.068 1.347 . . . . 0.0 112.151 168.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -146.55 167.03 24.71 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.979 0.911 . . . . 0.0 113.205 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.21 0.86 48.97 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.059 1.744 . . . . 0.0 113.308 172.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.39 126.12 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.089 1.355 . . . . 0.0 110.12 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -65.12 -40.55 94.64 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.033 0.933 . . . . 0.0 112.805 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.8 -28.74 69.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.857 0.863 . . . . 0.0 112.737 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -69.9 -43.44 71.74 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.481 -0.762 . . . . 0.0 110.746 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.36 -35.52 79.38 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.751 -0.593 . . . . 0.0 111.925 169.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -61.13 -47.66 85.19 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.632 1.106 . . . . 0.0 111.859 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.36 -33.06 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.092 0.957 . . . . 0.0 111.843 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.09 -44.29 76.58 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.371 -0.831 . . . . 0.0 112.913 173.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.9 mt -64.15 -29.85 70.95 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.603 -1.311 . . . . 0.0 112.578 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -61.65 -16.12 45.82 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 170.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -80.75 -34.43 34.35 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.24 1.016 . . . . 0.0 112.504 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -79.77 -34.7 39.57 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.829 1.252 . . . . 0.0 113.717 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.1 t -72.72 -16.26 61.67 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -173.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.02 -151.0 32.97 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.584 1.088 . . . . 0.0 113.641 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -67.61 131.74 46.2 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.542 1.137 . . . . 0.0 112.473 -175.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -126.35 149.46 49.17 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.993 1.717 . . . . 0.0 111.225 169.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -96.69 148.35 22.97 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.046 1.739 . . . . 0.0 109.434 169.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.72 139.72 51.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.076 0.95 . . . . 0.0 113.19 -170.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.4 t -68.61 144.97 54.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.91 1.284 . . . . 0.0 112.336 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.6 -9.46 49.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.672 1.189 . . . . 0.0 112.433 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -117.72 -22.26 8.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.265 1.426 . . . . 0.0 113.598 -170.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.1 p -146.43 -172.42 3.95 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.857 1.663 . . . . 0.0 112.316 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 m -82.19 2.46 31.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.278 1.431 . . . . 0.0 114.619 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.93 138.15 58.47 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.548 1.139 . . . . 0.0 113.456 -176.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.1 p -138.74 140.56 38.73 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.056 1.343 . . . . 0.0 111.628 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 28.6 p -144.66 169.8 17.3 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.68 1.192 . . . . 0.0 113.016 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mp -86.77 -10.12 54.31 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -175.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.2 m -137.81 124.57 21.1 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.235 1.014 . . . . 0.0 112.459 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -62.96 -30.01 71.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.134 0.974 . . . . 0.0 113.333 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.1 -34.3 89.56 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 123.702 0.667 . . . . 0.0 113.455 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -75.3 -31.89 60.8 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.094 0.947 . . . . 0.0 111.909 173.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.45 -43.17 91.19 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.521 -0.737 . . . . 0.0 112.267 171.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -56.65 -45.21 81.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.455 1.102 . . . . 0.0 111.789 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 p -79.08 -25.44 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -60.28 -45.19 94.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.397 -1.44 . . . . 0.0 110.603 167.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.26 -46.11 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.029 0.532 . . . . 0.0 110.588 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.81 -36.21 81.84 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -73.78 -41.29 62.62 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.3 t -102.67 -33.87 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -168.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -117.62 -14.86 10.22 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -168.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -109.25 10.97 25.63 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -140.2 161.52 37.46 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.566 1.547 . . . . 0.0 112.611 173.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 50.8 pt -85.81 162.6 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 125.354 1.461 . . . . 0.0 112.143 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.817 1.647 . . . . 0.0 111.783 174.775 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -80.09 40.7 0.49 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.612 1.565 . . . . 0.0 113.977 -174.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -74.39 -14.89 60.92 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.231 1.413 . . . . 0.0 114.544 -172.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.29 171.46 43.34 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.174 1.369 . . . . 0.0 113.145 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -83.1 157.03 22.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.923 1.289 . . . . 0.0 113.02 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m -71.52 147.3 47.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.42 1.088 . . . . 0.0 112.819 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.25 160.44 54.05 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.074 0.845 . . . . 0.0 113.789 174.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -144.59 152.09 40.01 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.78 1.632 . . . . 0.0 111.363 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.3 mt -119.44 141.57 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 126.142 1.777 . . . . 0.0 109.265 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.53 134.78 51.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.498 1.519 . . . . 0.0 110.26 -172.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.3 m -131.69 134.76 46.28 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.576 -0.702 . . . . 0.0 112.2 -169.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.71 129.04 37.31 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.026 1.33 . . . . 0.0 111.314 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -81.58 -8.33 59.7 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -104.6 -31.49 9.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.435 1.094 . . . . 0.0 113.886 -174.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 p -133.57 7.9 3.87 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.6 t30 58.15 20.06 6.68 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.438 1.895 . . . . 0.0 115.525 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -70.09 150.18 46.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.592 1.157 . . . . 0.0 111.738 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -118.97 136.46 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.21 1.404 . . . . 0.0 110.663 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -132.67 146.37 51.82 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.795 2.038 . . . . 0.0 110.863 -174.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -82.72 -13.23 56.72 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -142.05 150.84 41.77 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.674 1.19 . . . . 0.0 112.299 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -63.71 -42.67 97.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.281 1.032 . . . . 0.0 112.48 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -64.37 -34.97 79.38 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.361 0.664 . . . . 0.0 112.4 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -64.55 -42.33 95.75 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.33 0.652 . . . . 0.0 112.066 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.8 tp -67.16 -45.4 77.11 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.301 0.501 . . . . 0.0 111.736 172.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -60.1 -38.76 83.93 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.396 0.998 . . . . 0.0 112.739 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.05 -27.86 61.13 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -70.66 -43.42 69.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.046 0.939 . . . . 0.0 112.084 170.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.28 -20.34 41.76 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.603 1.161 . . . . 0.0 113.785 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 mtp-105 -49.28 -28.55 4.86 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.334 1.454 . . . . 0.0 114.438 170.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 pt -79.68 -25.51 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.658 1.117 . . . . 0.0 113.629 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -95.12 -22.63 17.75 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.906 1.282 . . . . 0.0 113.69 -173.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.9 p -79.13 53.83 1.52 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.371 1.468 . . . . 0.0 112.54 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.0 t30 63.01 159.05 0.08 Allowed 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.904 2.481 . . . . 0.0 114.007 -169.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.91 145.76 48.28 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.0 1.32 . . . . 0.0 112.815 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -134.74 78.47 55.21 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 125.196 1.399 . . . . 0.0 110.585 -172.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.19 -34.91 43.88 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.504 2.802 . . . . 0.0 114.707 -172.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -87.52 86.74 7.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.879 0.871 . . . . 0.0 110.856 -175.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.39 143.1 26.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.691 1.596 . . . . 0.0 112.306 -175.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.9 t -73.17 133.34 81.38 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.329 1.052 . . . . 0.0 110.473 171.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -78.66 -8.74 15.92 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.15 2.567 . . . . 0.0 112.625 171.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -113.82 -21.58 10.6 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -171.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -144.46 -171.7 3.65 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.707 1.139 . . . . 0.0 112.516 171.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.7 p -74.37 -1.49 21.2 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.237 1.415 . . . . 0.0 114.531 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -61.77 141.45 57.89 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.563 1.545 . . . . 0.0 113.626 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.45 152.06 35.03 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.761 1.224 . . . . 0.0 111.856 169.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.3 p -141.55 175.05 9.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.958 1.303 . . . . 0.0 113.201 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.59 3.91 37.83 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.239 1.416 . . . . 0.0 113.992 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.2 mt -136.83 124.72 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.838 1.255 . . . . 0.0 110.669 -176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.95 -39.76 93.2 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.782 1.233 . . . . 0.0 113.132 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.15 77.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.567 0.747 . . . . 0.0 112.529 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -34.0 64.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.253 -0.905 . . . . 0.0 111.48 176.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.6 tp -64.49 -38.43 90.99 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.607 -0.683 . . . . 0.0 111.395 169.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -62.31 -42.87 99.73 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.324 0.966 . . . . 0.0 112.08 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.87 -35.34 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.639 0.776 . . . . 0.0 111.82 173.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.22 -44.62 79.08 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 172.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.29 -32.97 72.81 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.655 -1.278 . . . . 0.0 112.189 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -62.75 -13.38 32.15 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.707 1.203 . . . . 0.0 113.972 172.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -85.57 -18.93 31.95 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.022 1.329 . . . . 0.0 113.656 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -81.85 71.18 8.87 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.377 1.071 . . . . 0.0 111.11 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 50.0 p -131.67 151.41 51.65 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.703 1.601 . . . . 0.0 111.399 177.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.13 -150.11 22.34 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.498 1.047 . . . . 0.0 112.701 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -75.14 149.6 38.99 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.603 1.161 . . . . 0.0 110.996 172.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -77.53 147.29 35.87 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.979 1.311 . . . . 0.0 112.931 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -108.35 133.6 52.32 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.404 1.882 . . . . 0.0 108.357 169.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.48 145.19 50.2 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -168.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.9 t -69.69 145.0 52.68 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.4 1.48 . . . . 0.0 112.396 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.24 -8.16 54.03 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.911 1.285 . . . . 0.0 112.828 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -123.27 -17.09 6.7 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.9 p -148.83 -170.9 3.74 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.512 1.525 . . . . 0.0 112.315 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.5 m -81.21 2.08 29.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.436 1.494 . . . . 0.0 114.719 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -62.6 138.65 58.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.337 1.055 . . . . 0.0 113.407 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.9 p -137.14 150.04 47.7 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.169 1.388 . . . . 0.0 111.924 170.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.7 p -146.77 178.9 7.96 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.782 1.633 . . . . 0.0 112.36 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.2 mt -113.94 23.96 12.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.985 1.314 . . . . 0.0 112.973 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 t -153.73 137.84 16.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.794 1.238 . . . . 0.0 111.926 170.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -62.6 -25.29 68.01 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 169.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.82 -44.79 88.35 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.074 0.845 . . . . 0.0 112.104 171.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.33 -38.08 89.77 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 117.846 0.823 . . . . 0.0 111.558 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.47 -44.31 94.82 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.243 0.617 . . . . 0.0 111.973 174.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.57 -47.5 85.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.039 0.536 . . . . 0.0 111.068 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.42 -41.98 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 123.997 0.919 . . . . 0.0 111.524 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.24 -51.44 68.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.782 0.719 . . . . 0.0 112.192 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 98.2 mt -66.42 -44.69 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.169 -0.957 . . . . 0.0 111.099 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -62.82 -25.76 68.41 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.598 1.159 . . . . 0.0 113.541 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.27 -37.89 9.49 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -98.43 -35.06 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.858 0.863 . . . . 0.0 113.119 -169.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -119.97 -30.0 4.81 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -169.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -67.93 133.22 48.74 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.809 1.243 . . . . 0.0 111.3 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -145.21 164.88 29.98 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.361 1.864 . . . . 0.0 112.318 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.6 tt -89.74 152.27 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.326 1.45 . . . . 0.0 110.856 170.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt . . . . . 0 C--O 1.252 1.22 0 C-N-CA 126.411 1.884 . . . . 0.0 112.708 175.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -71.03 154.25 41.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.567 1.147 . . . . 0.0 113.244 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -133.61 153.36 51.73 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.68 1.592 . . . . 0.0 111.933 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.64 7.13 87.24 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.416 1.008 . . . . 0.0 115.411 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -65.84 -19.75 65.99 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.201 1.4 . . . . 0.0 114.511 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -88.9 19.21 4.23 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.834 1.654 . . . . 0.0 114.348 -175.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.36 155.25 36.47 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.76 1.171 . . . . 0.0 114.317 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -136.81 152.72 50.61 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.668 1.587 . . . . 0.0 112.115 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.0 mt -120.42 142.55 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 126.702 2.001 . . . . 0.0 109.104 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -121.75 135.89 54.94 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.103 1.361 . . . . 0.0 110.632 -173.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -133.74 134.97 43.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.419 0.687 . . . . 0.0 112.007 -169.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -72.97 130.55 40.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.138 1.375 . . . . 0.0 111.534 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -82.89 -8.85 59.54 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -103.85 -31.33 9.84 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.399 1.079 . . . . 0.0 113.724 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -134.18 8.01 3.7 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.8 t30 58.38 20.17 7.1 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.392 1.877 . . . . 0.0 115.57 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -71.59 151.04 44.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.672 1.189 . . . . 0.0 111.804 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -118.44 137.25 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.333 1.453 . . . . 0.0 110.785 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -134.53 148.39 50.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.663 1.985 . . . . 0.0 111.381 -172.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -77.26 -23.2 51.26 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -175.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -140.47 155.48 46.66 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.419 1.088 . . . . 0.0 112.654 -172.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -58.8 -44.03 90.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.277 1.031 . . . . 0.0 111.848 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -66.01 -31.76 72.84 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 m -66.15 -45.55 80.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.625 0.77 . . . . 0.0 111.499 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 tp -65.49 -42.98 91.55 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 122.052 -0.405 . . . . 0.0 111.915 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -59.49 -41.32 89.56 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.188 0.903 . . . . 0.0 112.672 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.29 70.88 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -66.27 -42.88 87.86 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.427 0.691 . . . . 0.0 112.152 174.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.8 mt -57.69 -20.7 35.86 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.439 1.096 . . . . 0.0 113.646 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -58.28 -20.1 39.91 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 pt -79.18 -23.99 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.467 1.03 . . . . 0.0 113.221 173.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -98.25 -35.18 10.43 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.528 1.531 . . . . 0.0 112.718 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.5 p -78.6 162.63 26.12 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.46 1.104 . . . . 0.0 112.133 174.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -80.58 130.08 34.91 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.345 -0.847 . . . . 0.0 112.624 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -155.26 168.96 25.35 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.295 1.838 . . . . 0.0 110.896 171.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.1 119.73 44.55 Favored Pre-proline 0 N--CA 1.478 0.956 0 C-N-CA 124.775 1.23 . . . . 0.0 112.189 -173.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -79.27 -37.66 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.191 2.594 . . . . 0.0 115.017 -171.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -85.53 78.1 9.74 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.844 0.831 . . . . 0.0 111.073 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -84.54 145.55 28.02 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.294 1.837 . . . . 0.0 112.34 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.37 137.3 71.5 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.826 1.25 . . . . 0.0 111.029 172.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.62 -10.56 15.78 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.594 2.863 . . . . 0.0 112.952 173.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -113.25 -24.42 9.39 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -172.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.1 p -145.2 -175.42 4.69 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.271 1.396 . . . . 0.0 113.036 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -72.0 -0.64 12.1 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.306 1.442 . . . . 0.0 114.684 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -61.07 140.12 57.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.456 1.503 . . . . 0.0 113.379 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.57 152.52 38.09 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.141 1.376 . . . . 0.0 111.878 168.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t -145.72 169.97 17.44 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.454 1.101 . . . . 0.0 113.33 174.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.55 -1.04 51.33 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.037 1.735 . . . . 0.0 113.548 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.3 mt -128.4 128.29 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.066 1.346 . . . . 0.0 110.29 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -67.16 -37.35 83.6 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.504 1.121 . . . . 0.0 112.926 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.05 -30.69 71.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.489 0.716 . . . . 0.0 112.585 173.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -69.2 -39.92 78.34 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.094 -1.004 . . . . 0.0 111.085 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.96 -37.21 81.6 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.837 -0.54 . . . . 0.0 111.562 169.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -64.26 -36.57 84.52 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.758 -1.214 . . . . 0.0 112.83 175.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -72.85 -19.94 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.251 1.42 . . . . 0.0 112.398 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -84.74 -45.38 12.45 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.52 1.128 . . . . 0.0 113.746 170.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.04 -34.15 74.41 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.574 -1.329 . . . . 0.0 112.546 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -64.89 -9.3 20.0 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -84.68 -19.36 32.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.179 1.392 . . . . 0.0 113.135 170.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -81.65 17.64 1.41 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.129 1.372 . . . . 0.0 114.653 176.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.9 p -79.92 6.29 11.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.71 1.604 . . . . 0.0 114.364 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.37 -139.4 0.91 Allowed Glycine 0 CA--C 1.539 1.555 0 C-N-CA 126.075 1.798 . . . . 0.0 114.751 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.33 150.49 46.09 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.011 1.324 . . . . 0.0 114.019 -173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -109.42 159.2 17.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.048 2.139 . . . . 0.0 112.684 174.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -105.24 152.77 22.45 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.115 1.766 . . . . 0.0 110.518 176.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.54 142.71 48.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.06 0.944 . . . . 0.0 113.115 -174.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.7 t -65.98 145.16 56.22 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.958 1.303 . . . . 0.0 111.96 177.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -87.61 -9.5 54.13 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.462 1.105 . . . . 0.0 112.693 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -121.87 -19.06 6.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.918 1.287 . . . . 0.0 114.124 -169.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.35 -171.37 3.72 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.394 1.478 . . . . 0.0 112.401 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.3 p -82.47 0.83 40.48 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.789 1.636 . . . . 0.0 114.855 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -62.84 143.59 57.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.338 1.055 . . . . 0.0 113.333 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.2 p -134.69 155.39 50.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.691 1.196 . . . . 0.0 112.374 170.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 15.8 t -144.9 158.22 43.88 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.902 1.281 . . . . 0.0 112.22 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.4 mt -98.42 8.41 44.9 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.99 1.316 . . . . 0.0 113.299 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.8 t -140.05 126.31 19.99 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.684 1.594 . . . . 0.0 110.719 170.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -19.21 63.35 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 174.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.85 -46.76 28.36 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.014 0.816 . . . . 0.0 111.81 171.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -68.18 -32.13 72.16 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.749 -0.853 . . . . 0.0 111.869 174.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.35 -40.02 96.13 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.209 -0.932 . . . . 0.0 112.267 170.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.42 -41.8 97.73 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.26 -0.9 . . . . 0.0 111.215 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.3 t -63.18 -40.63 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.293 0.637 . . . . 0.0 111.858 174.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -57.32 -46.42 83.25 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.407 1.003 . . . . 0.0 111.489 171.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.81 -45.26 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 O-C-N 121.45 -0.782 . . . . 0.0 110.994 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.14 -35.3 80.12 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -84.91 -37.54 20.46 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.78 -37.01 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.858 0.863 . . . . 0.0 112.672 -170.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -111.17 -34.3 6.21 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -172.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -91.72 -173.05 3.41 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.578 1.551 . . . . 0.0 111.11 169.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -124.68 148.88 47.73 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.54 1.936 . . . . 0.0 110.032 169.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.2 mt -112.12 137.35 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.422 1.489 . . . . 0.0 109.658 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.395 1.878 . . . . 0.0 111.618 -178.728 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 p -148.41 161.42 41.63 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.352 1.461 . . . . 0.0 112.505 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m 54.88 30.45 13.89 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.742 1.617 . . . . 0.0 115.343 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.26 -179.38 48.89 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.963 1.268 . . . . 0.0 113.445 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -144.49 161.42 39.12 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.525 1.53 . . . . 0.0 112.348 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -68.37 142.42 55.46 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.435 1.094 . . . . 0.0 113.179 -176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.63 178.19 52.2 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.417 1.008 . . . . 0.0 113.821 172.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -73.6 147.43 43.84 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.48 1.112 . . . . 0.0 111.731 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -129.46 143.13 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.973 1.709 . . . . 0.0 109.514 -174.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -124.39 137.81 54.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.396 1.478 . . . . 0.0 110.535 -174.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 m -133.86 135.73 43.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.466 0.706 . . . . 0.0 112.062 -169.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 t -70.34 134.17 47.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.113 1.365 . . . . 0.0 111.871 176.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -85.13 -8.78 58.47 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -106.33 -31.71 8.48 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.449 1.1 . . . . 0.0 113.794 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 p -133.51 6.61 3.8 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 59.31 14.82 3.89 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.368 1.867 . . . . 0.0 115.913 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -64.16 149.81 47.0 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.502 1.121 . . . . 0.0 111.745 170.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -116.81 136.24 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.302 1.441 . . . . 0.0 110.662 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -132.89 145.19 50.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.597 1.959 . . . . 0.0 110.929 -174.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -78.48 -19.43 53.06 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -137.46 150.13 47.36 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.749 1.22 . . . . 0.0 112.347 -171.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -63.48 -42.26 98.57 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.975 0.91 . . . . 0.0 112.06 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -64.3 -35.67 81.62 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.154 0.582 . . . . 0.0 112.47 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.9 m -63.39 -43.5 97.38 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.506 0.723 . . . . 0.0 111.978 174.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.1 tp -66.25 -45.34 80.91 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.456 0.571 . . . . 0.0 111.838 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -59.67 -39.49 84.63 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.159 -0.963 . . . . 0.0 112.807 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.4 -33.78 67.4 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -64.99 -43.54 92.24 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.515 0.726 . . . . 0.0 112.346 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.2 mt -58.2 -20.32 40.41 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -56.99 -25.39 58.27 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.9 1.28 . . . . 0.0 114.021 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 pt -73.54 -30.32 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.197 0.908 . . . . 0.0 112.565 176.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -87.69 -24.15 23.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.57 1.148 . . . . 0.0 112.348 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -88.01 9.95 20.65 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.354 1.461 . . . . 0.0 113.6 173.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -59.84 142.76 52.84 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.95 1.3 . . . . 0.0 113.497 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -121.66 -0.56 9.66 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.436 1.494 . . . . 0.0 114.118 172.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -78.75 136.19 59.11 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 124.553 1.141 . . . . 0.0 111.208 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.58 -39.76 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.676 2.917 . . . . 0.0 115.915 -168.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -85.38 84.75 7.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.824 0.738 . . . . 0.0 111.435 -169.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -73.73 141.15 46.36 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.131 1.372 . . . . 0.0 111.894 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -67.54 132.46 92.88 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.41 1.484 . . . . 0.0 110.618 174.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -66.28 -14.93 46.4 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.241 2.627 . . . . 0.0 113.784 170.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -113.43 -25.93 8.57 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -169.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -143.14 -172.64 3.72 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 120.349 1.431 . . . . 0.0 113.178 175.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.1 p -72.91 -3.14 23.94 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.744 1.618 . . . . 0.0 114.428 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -63.98 149.13 48.0 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.585 1.554 . . . . 0.0 113.383 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.5 144.43 28.56 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.553 1.141 . . . . 0.0 111.968 169.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.9 t -119.14 157.54 27.71 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.815 1.246 . . . . 0.0 113.369 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.87 -6.42 58.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.844 1.258 . . . . 0.0 112.774 169.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.2 mt -133.07 128.11 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.97 1.308 . . . . 0.0 110.289 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -63.88 -39.11 93.42 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.69 0.796 . . . . 0.0 112.431 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.58 -24.53 64.61 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.126 0.97 . . . . 0.0 113.475 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -75.58 -40.88 55.93 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.135 -0.978 . . . . 0.0 111.236 170.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.54 -36.26 80.08 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.592 0.633 . . . . 0.0 111.565 172.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.75 -24.63 64.2 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.745 1.218 . . . . 0.0 113.64 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.8 -36.39 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.939 1.295 . . . . 0.0 111.677 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -59.59 -39.3 83.69 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.093 -1.005 . . . . 0.0 113.097 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 mt -59.16 -29.84 67.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.024 -1.048 . . . . 0.0 112.769 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -68.3 -11.02 58.79 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.398 1.479 . . . . 0.0 113.716 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -82.81 -22.31 34.22 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.158 1.383 . . . . 0.0 112.864 172.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -81.45 54.61 2.38 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 112.948 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.7 p -112.42 5.23 18.0 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.04 1.736 . . . . 0.0 114.067 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.99 -174.24 36.02 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.741 1.162 . . . . 0.0 113.542 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -94.47 131.9 39.68 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.124 1.369 . . . . 0.0 110.856 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -83.38 149.47 26.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.753 1.221 . . . . 0.0 113.953 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -122.2 151.38 41.08 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.959 2.504 . . . . 0.0 108.981 169.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.59 146.99 47.74 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -169.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.83 149.79 49.43 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.466 1.506 . . . . 0.0 112.137 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -96.07 -2.78 45.97 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.191 1.396 . . . . 0.0 112.656 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -125.95 -17.06 5.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.592 1.157 . . . . 0.0 113.985 -172.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.51 -172.3 4.1 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.651 1.58 . . . . 0.0 112.081 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 m -80.96 2.91 24.79 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.346 1.459 . . . . 0.0 114.654 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.99 143.57 57.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.457 1.103 . . . . 0.0 113.66 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 p -137.72 148.3 45.53 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.246 1.418 . . . . 0.0 111.883 171.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.1 t -145.87 162.83 36.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.355 1.062 . . . . 0.0 112.341 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.4 mt -86.91 4.24 42.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.445 1.498 . . . . 0.0 113.855 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.0 t -137.26 132.53 33.89 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.982 1.313 . . . . 0.0 112.316 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -64.55 -33.24 75.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.443 1.097 . . . . 0.0 112.127 170.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.3 76.38 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.816 0.722 . . . . 0.0 112.036 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.37 -35.38 80.19 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.852 -0.793 . . . . 0.0 111.836 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.69 -38.83 84.22 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.567 -0.708 . . . . 0.0 112.05 174.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -60.88 -47.59 85.69 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.568 -0.708 . . . . 0.0 110.945 172.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.39 -41.87 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-N 118.634 0.652 . . . . 0.0 111.499 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -56.07 -47.52 77.8 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.076 0.853 . . . . 0.0 111.658 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.51 -45.67 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.094 -1.004 . . . . 0.0 111.303 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -67.23 -21.51 65.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -104.57 -46.86 4.24 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.71 -37.6 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.673 -0.642 . . . . 0.0 111.649 -172.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -112.51 -34.61 5.8 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -171.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -83.74 96.25 8.67 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.301 0.955 . . . . 0.0 110.316 170.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -83.58 43.89 0.93 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.717 1.207 . . . . 0.0 113.12 -171.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.5 pt -92.91 152.7 3.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 126.095 1.758 . . . . 0.0 112.053 -176.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.792 2.037 . . . . 0.0 112.796 -179.257 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -149.17 146.99 27.92 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.907 1.283 . . . . 0.0 112.064 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 m -82.93 -1.31 51.96 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.147 1.379 . . . . 0.0 113.471 173.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.62 1.22 38.42 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.501 1.524 . . . . 0.0 116.286 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -141.95 149.71 40.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.594 1.558 . . . . 0.0 111.774 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -77.03 -18.61 58.0 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.755 1.222 . . . . 0.0 113.303 171.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.61 10.66 67.48 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 124.601 1.096 . . . . 0.0 114.871 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -78.02 148.25 34.43 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 118.896 1.348 . . . . 0.0 112.082 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 51.7 mt -139.91 143.15 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.551 1.54 . . . . 0.0 110.172 -171.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -129.34 145.03 51.45 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.35 1.86 . . . . 0.0 110.618 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 m -136.1 137.17 40.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.616 0.766 . . . . 0.0 112.36 -170.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -70.23 131.53 44.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.293 1.437 . . . . 0.0 111.618 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.42 -8.55 59.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -107.36 -31.97 7.95 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.451 1.1 . . . . 0.0 113.886 -174.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -132.57 6.52 4.08 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.3 m120 59.47 15.67 4.66 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.302 1.841 . . . . 0.0 115.848 175.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -64.15 149.91 46.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.63 1.172 . . . . 0.0 111.706 170.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.23 136.38 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.217 1.407 . . . . 0.0 110.882 -174.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -134.62 146.75 49.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.679 1.992 . . . . 0.0 110.983 -173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -73.36 -37.29 66.11 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -121.98 149.13 43.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.598 1.159 . . . . 0.0 111.766 -170.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -60.9 -42.17 97.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.723 0.809 . . . . 0.0 112.11 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -66.65 -30.51 70.79 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.2 m -66.16 -42.57 88.8 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.48 0.712 . . . . 0.0 111.581 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.7 tp -66.52 -45.74 78.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 119.131 -0.461 . . . . 0.0 111.79 172.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -58.05 -40.14 80.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.585 1.084 . . . . 0.0 112.446 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.51 62.7 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -69.06 -44.7 72.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.553 0.741 . . . . 0.0 111.985 170.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.76 -19.61 42.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.387 1.075 . . . . 0.0 113.61 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 -47.19 -35.59 7.65 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.844 1.258 . . . . 0.0 114.073 170.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 pt -72.17 -23.07 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -104.74 -25.88 12.49 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.501 1.52 . . . . 0.0 113.445 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 m -107.53 17.61 22.5 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.85 1.66 . . . . 0.0 113.487 -167.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -76.89 61.96 2.01 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.475 -1.391 . . . . 0.0 112.231 175.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -80.19 -1.8 42.02 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.394 1.478 . . . . 0.0 114.655 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.51 130.67 84.92 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 125.477 1.511 . . . . 0.0 110.731 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.49 -38.96 4.01 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.475 2.783 . . . . 0.0 115.316 -168.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -92.7 87.82 6.03 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.507 0.67 . . . . 0.0 111.108 -169.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 97.7 mttt -92.54 142.39 27.46 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.814 1.246 . . . . 0.0 112.229 -177.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.3 t -67.36 136.94 93.57 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 125.002 1.321 . . . . 0.0 111.667 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.95 -10.31 24.55 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.318 2.679 . . . . 0.0 113.108 173.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.28 -27.88 7.46 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -145.06 -174.5 4.38 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 120.44 1.473 . . . . 0.0 113.683 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.3 m -72.94 -0.88 14.92 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.407 1.483 . . . . 0.0 114.423 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -59.39 141.92 53.47 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.153 1.381 . . . . 0.0 113.041 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . . . -141.86 148.97 39.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.897 1.279 . . . . 0.0 112.311 171.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p -135.84 159.2 42.39 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.644 1.178 . . . . 0.0 113.109 172.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.49 -0.77 54.43 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.653 1.181 . . . . 0.0 112.874 170.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.15 124.11 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.881 2.073 . . . . 0.0 109.305 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -62.31 -36.81 83.3 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.039 0.936 . . . . 0.0 112.854 -175.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -31.59 72.76 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.849 0.86 . . . . 0.0 112.877 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -71.93 -39.3 69.55 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.426 -0.796 . . . . 0.0 111.107 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.79 -41.48 95.79 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.632 0.651 . . . . 0.0 111.619 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -56.64 -44.87 81.72 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.254 0.622 . . . . 0.0 111.845 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.49 -39.4 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.687 0.795 . . . . 0.0 111.897 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -57.99 -37.25 73.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.403 1.001 . . . . 0.0 113.076 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.59 -29.03 68.94 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.044 -1.035 . . . . 0.0 113.292 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -62.38 -21.35 65.28 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 172.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -77.31 -19.4 56.46 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.533 1.133 . . . . 0.0 113.136 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -82.21 76.51 9.09 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.862 1.265 . . . . 0.0 110.783 169.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.9 p -81.35 50.05 1.39 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.065 2.146 . . . . 0.0 113.678 -169.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.23 35.2 60.61 Favored Glycine 0 CA--C 1.537 1.465 0 O-C-N 121.491 -0.756 . . . . 0.0 112.806 -170.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 63.71 163.63 0.12 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.464 2.306 . . . . 0.0 115.369 -169.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -129.35 154.21 47.11 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.56 1.944 . . . . 0.0 111.649 -177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -125.01 153.0 43.48 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.807 2.043 . . . . 0.0 110.023 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.69 144.35 47.74 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.03 0.932 . . . . 0.0 112.939 -174.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.5 t -65.6 145.96 55.42 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.386 1.475 . . . . 0.0 112.062 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.03 -8.09 50.03 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.702 1.201 . . . . 0.0 112.646 175.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -119.27 -20.51 7.9 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.28 1.432 . . . . 0.0 113.561 -170.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.12 -170.1 3.46 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.93 1.692 . . . . 0.0 112.063 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 m -83.63 1.27 43.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.329 1.452 . . . . 0.0 114.723 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -63.07 145.31 55.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.781 1.232 . . . . 0.0 114.02 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.3 p -129.8 152.43 49.3 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.013 1.725 . . . . 0.0 112.0 172.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.1 t -145.14 157.33 44.12 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.629 1.172 . . . . 0.0 111.985 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.01 -1.03 57.57 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.102 1.361 . . . . 0.0 112.667 174.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 t -138.01 128.42 26.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.756 1.622 . . . . 0.0 111.483 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -68.17 -27.54 66.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.662 0.785 . . . . 0.0 112.917 174.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.27 -44.32 66.39 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.95 0.786 . . . . 0.0 112.159 174.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -69.58 -33.26 72.45 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.703 -0.88 . . . . 0.0 111.891 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.73 -38.33 90.63 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.644 -0.66 . . . . 0.0 112.274 171.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.75 -40.83 93.93 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.053 0.842 . . . . 0.0 111.368 173.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.5 t -66.38 -42.42 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.161 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -53.88 -45.7 71.11 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.402 1.455 . . . . 0.0 111.578 172.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.13 -47.92 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.297 -0.877 . . . . 0.0 111.342 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -61.6 -47.7 84.27 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -92.96 -16.75 24.76 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -168.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.4 -45.14 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.185 0.994 . . . . 0.0 112.075 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -104.82 -32.01 9.03 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -169.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -105.68 18.4 22.23 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.082 1.353 . . . . 0.0 114.011 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -65.31 154.14 39.1 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.839 1.655 . . . . 0.0 113.467 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.25 161.43 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.221 1.808 . . . . 0.0 111.98 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 126.047 1.739 . . . . 0.0 111.302 177.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -68.34 147.46 52.09 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.442 1.097 . . . . 0.0 113.17 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -70.72 146.17 50.04 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.433 1.093 . . . . 0.0 112.901 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.7 -0.3 89.98 Favored Glycine 0 CA--C 1.539 1.562 0 N-CA-C 116.13 1.212 . . . . 0.0 116.13 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m 59.02 11.14 1.83 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 116.113 1.894 . . . . 0.0 116.113 -174.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -116.44 -4.01 11.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.023 1.729 . . . . 0.0 114.476 -176.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.63 -24.68 74.01 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 124.338 0.97 . . . . 0.0 115.149 -173.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -147.65 139.37 23.98 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.276 1.43 . . . . 0.0 111.263 171.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.2 mt -141.28 142.51 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.492 1.917 . . . . 0.0 108.328 -172.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.57 131.91 56.79 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.436 1.094 . . . . 0.0 110.867 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.0 m -134.64 134.74 41.51 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.764 0.826 . . . . 0.0 111.9 -170.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -71.17 131.95 44.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.131 1.372 . . . . 0.0 111.488 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.06 -7.11 59.48 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.09 -31.59 8.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.549 1.139 . . . . 0.0 113.903 -175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -133.49 9.31 3.98 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 59.47 13.52 3.3 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.801 2.041 . . . . 0.0 115.824 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -65.86 149.45 50.17 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.719 1.208 . . . . 0.0 111.927 173.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.42 138.04 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.195 1.398 . . . . 0.0 110.88 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -133.37 145.65 50.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.79 2.036 . . . . 0.0 110.984 -173.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.42 -28.8 62.19 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.237 1.015 . . . . 0.0 113.302 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -134.55 153.58 51.88 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.692 1.197 . . . . 0.0 113.038 -170.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -61.5 -45.38 94.47 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.6 1.16 . . . . 0.0 112.408 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -63.28 -35.15 79.41 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.227 0.611 . . . . 0.0 112.485 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 m -63.77 -43.02 97.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.536 0.734 . . . . 0.0 111.952 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.5 tp -67.38 -44.72 78.26 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.21 0.459 . . . . 0.0 111.942 172.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -57.99 -41.02 82.13 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.428 -0.795 . . . . 0.0 112.61 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.82 -34.0 68.96 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -66.05 -42.77 89.08 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.433 0.693 . . . . 0.0 112.213 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.12 -19.7 47.05 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -59.0 -22.38 60.54 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.81 1.244 . . . . 0.0 114.163 176.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 pt -76.72 -29.33 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 119.312 0.96 . . . . 0.0 112.834 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -86.92 -20.18 27.75 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.412 1.085 . . . . 0.0 113.155 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 79.6 p -86.14 13.66 7.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.244 1.418 . . . . 0.0 113.572 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -79.14 59.77 2.83 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.632 1.573 . . . . 0.0 112.397 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.94 30.81 6.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.064 1.746 . . . . 0.0 111.962 -175.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -65.07 125.56 89.48 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 125.082 1.353 . . . . 0.0 112.439 -169.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -79.93 -36.2 0.61 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.315 2.677 . . . . 0.0 115.302 -173.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -82.23 79.28 8.76 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.852 0.834 . . . . 0.0 111.401 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -84.78 141.58 30.41 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.073 1.749 . . . . 0.0 111.507 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.1 t -70.78 136.62 85.44 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.404 1.082 . . . . 0.0 111.572 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -73.08 -9.9 23.93 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 123.405 2.737 . . . . 0.0 113.131 171.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -117.17 -25.15 7.22 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.7 p -145.18 -172.22 3.82 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 120.531 1.514 . . . . 0.0 113.631 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.9 p -76.57 -0.53 23.58 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.625 1.57 . . . . 0.0 114.65 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -57.28 139.69 52.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.345 1.458 . . . . 0.0 112.875 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.87 148.37 33.87 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.143 1.377 . . . . 0.0 112.001 169.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 t -145.47 175.96 9.95 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.236 1.015 . . . . 0.0 113.474 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.41 -0.75 42.98 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.964 1.706 . . . . 0.0 114.016 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 mt -135.99 131.64 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.939 1.296 . . . . 0.0 110.442 -177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -62.74 -39.39 93.96 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.11 0.964 . . . . 0.0 112.574 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.61 74.87 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.598 0.759 . . . . 0.0 112.608 175.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -70.52 -37.6 74.15 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.115 -0.991 . . . . 0.0 111.351 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.24 -36.32 83.27 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.612 -0.68 . . . . 0.0 112.141 169.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -62.99 -41.83 99.68 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.896 -1.127 . . . . 0.0 111.688 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.0 -24.43 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.079 1.352 . . . . 0.0 112.436 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -79.16 -42.43 26.16 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 171.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -60.9 -35.25 76.18 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.656 -1.277 . . . . 0.0 112.617 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -66.37 -8.82 28.01 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -87.99 -11.02 48.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.453 1.501 . . . . 0.0 113.638 171.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -77.7 -16.21 58.63 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.7 t -89.16 164.75 14.87 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.49 1.041 . . . . 0.0 112.239 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.2 176.76 51.22 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.098 1.332 . . . . 0.0 115.205 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -70.84 144.43 50.75 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.618 1.967 . . . . 0.0 112.005 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -130.41 152.86 49.35 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.314 1.446 . . . . 0.0 113.977 -169.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -120.11 142.81 48.56 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.387 2.275 . . . . 0.0 108.238 168.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.3 141.77 49.71 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.045 0.938 . . . . 0.0 113.321 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.1 t -65.99 145.86 55.38 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.99 1.316 . . . . 0.0 112.344 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -88.07 -10.28 50.68 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.717 1.207 . . . . 0.0 112.611 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -119.95 -20.68 7.41 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.034 1.334 . . . . 0.0 113.995 -170.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.5 p -146.74 -172.88 4.08 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.497 1.519 . . . . 0.0 112.405 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 m -80.55 0.9 31.86 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.184 1.393 . . . . 0.0 114.609 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -63.02 144.68 56.67 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.505 1.122 . . . . 0.0 113.724 -176.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.6 p -134.85 152.85 52.09 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.21 1.404 . . . . 0.0 111.662 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.4 t -144.02 158.6 43.61 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.286 1.034 . . . . 0.0 112.279 177.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.57 -3.54 50.69 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.688 1.595 . . . . 0.0 113.409 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 t -134.27 131.43 38.44 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.193 1.397 . . . . 0.0 111.942 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -21.27 63.21 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 171.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.23 -44.52 28.4 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.104 0.859 . . . . 0.0 111.797 173.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -66.73 -34.67 78.36 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.818 -0.813 . . . . 0.0 111.594 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.0 -40.45 96.38 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.515 -0.741 . . . . 0.0 112.386 173.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.27 -43.01 92.54 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.542 -0.724 . . . . 0.0 111.247 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.73 -40.53 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.311 0.644 . . . . 0.0 111.858 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -55.51 -45.68 77.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.544 1.066 . . . . 0.0 111.224 172.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.55 -47.37 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.408 -0.807 . . . . 0.0 110.728 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.59 -20.9 65.43 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 115.057 1.502 . . . . 0.0 115.057 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -103.23 -36.97 7.89 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -92.48 -36.92 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.664 0.786 . . . . 0.0 112.278 -174.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -114.08 -32.16 6.12 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -169.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -78.46 81.99 4.76 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.351 0.978 . . . . 0.0 110.062 170.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -78.03 52.79 1.11 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.74 2.016 . . . . 0.0 113.808 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.8 pt -75.31 156.15 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.172 1.389 . . . . 0.0 112.064 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt . . . . . 0 C--O 1.252 1.207 0 C-N-CA 126.613 1.965 . . . . 0.0 112.794 178.916 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 112.06 -0.416 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m -67.73 149.61 49.74 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.546 1.138 . . . . 0.0 113.024 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.2 p -79.46 -9.79 59.68 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.936 1.294 . . . . 0.0 114.346 178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.72 -168.76 32.93 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.847 1.689 . . . . 0.0 112.534 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -76.47 -20.59 56.84 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 m 54.56 26.42 7.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.968 1.707 . . . . 0.0 114.632 -175.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.97 151.47 52.47 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.347 0.975 . . . . 0.0 113.622 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -145.48 151.19 37.79 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.435 1.494 . . . . 0.0 112.582 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.5 mt -137.57 143.19 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 126.524 1.93 . . . . 0.0 109.139 -172.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -120.02 109.23 15.25 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.28 1.032 . . . . 0.0 111.566 -170.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 m -120.66 135.69 55.05 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.124 0.97 . . . . 0.0 112.261 -174.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.47 130.83 44.03 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.948 2.099 . . . . 0.0 111.588 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.89 -8.14 59.66 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -105.49 -32.58 8.46 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.317 1.047 . . . . 0.0 113.785 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 p -133.09 7.04 3.94 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.9 t30 59.29 16.31 4.91 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.474 1.91 . . . . 0.0 115.73 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -68.58 144.35 54.57 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.994 -1.066 . . . . 0.0 110.868 169.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 p -125.17 138.87 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.345 1.058 . . . . 0.0 112.308 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -130.11 148.6 51.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.704 2.401 . . . . 0.0 110.38 -169.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -78.99 -17.7 54.94 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -177.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -136.94 151.28 48.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.757 1.223 . . . . 0.0 112.662 -171.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -62.46 -44.75 95.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.355 1.062 . . . . 0.0 112.482 -177.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -63.44 -36.84 85.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.43 0.692 . . . . 0.0 112.434 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.1 m -63.53 -42.7 98.41 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.583 0.753 . . . . 0.0 112.111 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.1 tp -69.04 -46.03 68.92 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.34 0.518 . . . . 0.0 111.744 172.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -60.58 -37.46 81.4 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.383 0.992 . . . . 0.0 112.97 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.4 61.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -64.92 -44.46 89.44 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.604 0.638 . . . . 0.0 112.093 171.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.65 -24.11 54.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.523 1.129 . . . . 0.0 113.633 -175.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -51.53 -30.75 21.61 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.207 1.403 . . . . 0.0 114.051 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 pt -71.82 -23.86 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -100.98 -38.54 8.16 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.527 1.531 . . . . 0.0 112.496 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.1 p -80.8 -16.01 54.9 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -171.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -129.46 125.99 37.7 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.553 1.141 . . . . 0.0 111.469 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -131.56 11.3 4.85 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.712 1.605 . . . . 0.0 112.57 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -75.21 133.48 74.99 Favored Pre-proline 0 CA--C 1.546 0.826 0 O-C-N 120.906 -1.121 . . . . 0.0 112.0 -171.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -76.11 -40.13 0.73 Allowed 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.472 2.781 . . . . 0.0 114.896 -174.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -87.42 83.64 7.28 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.554 0.692 . . . . 0.0 110.786 -172.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -89.33 144.58 25.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.11 1.764 . . . . 0.0 112.354 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.7 t -75.05 137.1 72.66 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.887 1.275 . . . . 0.0 111.437 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.76 -14.87 15.47 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.628 2.885 . . . . 0.0 112.909 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -107.19 -27.34 10.62 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -173.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.5 p -144.62 -175.62 4.73 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.255 1.389 . . . . 0.0 113.135 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -71.95 -1.17 13.5 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.341 1.456 . . . . 0.0 114.625 -177.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -61.05 141.05 57.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.731 1.612 . . . . 0.0 113.611 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.66 151.13 35.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.069 1.348 . . . . 0.0 112.009 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t -142.13 165.09 28.4 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.369 1.068 . . . . 0.0 113.322 174.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.15 -6.53 59.29 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.134 1.374 . . . . 0.0 113.542 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.7 mm -125.23 133.57 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.584 1.554 . . . . 0.0 110.888 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -66.82 -37.56 84.75 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.816 0.846 . . . . 0.0 112.463 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.15 86.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.72 0.808 . . . . 0.0 112.682 173.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -61.48 -43.45 98.85 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.582 1.083 . . . . 0.0 111.448 172.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 tp -62.83 -36.8 84.39 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.812 -0.555 . . . . 0.0 112.262 174.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -64.38 -42.65 96.05 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.91 1.232 . . . . 0.0 112.588 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.2 -23.63 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.884 1.274 . . . . 0.0 112.126 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -83.07 -44.16 15.48 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.573 1.149 . . . . 0.0 113.715 172.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 mt -62.43 -33.03 73.99 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.52 -1.363 . . . . 0.0 112.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -65.08 -12.08 46.73 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 173.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -80.84 -19.67 44.08 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.918 1.287 . . . . 0.0 112.783 169.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -89.61 25.14 2.08 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.949 1.7 . . . . 0.0 114.491 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 p -69.15 134.23 49.03 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.279 -1.513 . . . . 0.0 111.685 171.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.72 21.31 77.88 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 115.366 0.906 . . . . 0.0 115.366 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.33 167.59 20.68 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.291 1.436 . . . . 0.0 113.252 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -69.8 147.25 50.66 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.176 1.39 . . . . 0.0 112.639 170.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -123.98 133.96 53.57 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.632 2.373 . . . . 0.0 107.774 169.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.59 145.04 46.76 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -169.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.0 t -70.94 146.97 49.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.026 1.33 . . . . 0.0 112.419 176.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -93.86 -9.96 35.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.223 1.409 . . . . 0.0 112.509 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -117.7 -17.96 9.77 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.327 1.451 . . . . 0.0 113.617 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 p -148.56 -173.58 4.37 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.893 1.677 . . . . 0.0 111.934 171.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.2 m -80.94 1.86 29.25 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.262 1.425 . . . . 0.0 114.577 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.93 146.2 54.48 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.7 p -136.03 152.86 51.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.763 1.225 . . . . 0.0 111.985 168.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 27.1 p -144.01 -177.42 5.43 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.345 1.858 . . . . 0.0 110.452 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.79 15.3 21.97 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -174.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.5 t -152.8 142.24 21.69 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.615 1.166 . . . . 0.0 112.171 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -60.41 -28.35 68.18 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.772 0.829 . . . . 0.0 112.959 169.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.81 -42.49 78.84 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 123.8 0.714 . . . . 0.0 112.262 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.79 -34.44 78.17 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.696 -0.885 . . . . 0.0 111.569 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.11 -44.59 79.54 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 111.84 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -58.89 -43.26 90.91 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.103 0.961 . . . . 0.0 111.49 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.94 -41.59 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.224 1.01 . . . . 0.0 112.115 174.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -58.52 -46.89 85.81 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.289 0.95 . . . . 0.0 111.689 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.0 -44.85 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 121.599 -0.688 . . . . 0.0 110.511 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.73 -33.3 73.8 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -89.9 -36.38 15.07 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -102.56 -34.65 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -169.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -119.09 -32.01 4.56 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -169.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -73.96 133.38 43.02 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.649 1.18 . . . . 0.0 111.376 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -78.09 155.44 30.56 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.755 1.222 . . . . 0.0 113.031 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.7 tp -102.58 -7.77 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.75 1.62 . . . . 0.0 113.632 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.434 1.893 . . . . 0.0 112.321 -175.491 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m 61.95 163.36 0.08 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.859 2.064 . . . . 0.0 115.401 -175.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -71.12 142.83 50.75 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.427 1.091 . . . . 0.0 112.71 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.23 158.67 49.6 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.228 0.918 . . . . 0.0 113.465 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 m -71.83 145.75 48.42 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.258 1.023 . . . . 0.0 112.371 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 m -76.7 143.08 40.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.07 0.948 . . . . 0.0 112.575 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 -169.85 43.13 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.505 1.05 . . . . 0.0 115.001 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -76.53 150.26 36.59 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.896 1.278 . . . . 0.0 111.478 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.7 mt -114.9 139.15 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.64 1.576 . . . . 0.0 109.382 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.9 133.63 53.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.016 1.326 . . . . 0.0 110.427 -172.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.8 m -131.5 135.04 46.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.526 0.73 . . . . 0.0 112.364 -169.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -73.87 133.96 43.21 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.309 1.443 . . . . 0.0 111.962 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.28 -10.16 58.69 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -104.23 -32.25 9.2 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -174.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 p -132.29 3.68 3.98 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.1 t30 58.78 20.37 7.86 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.216 1.806 . . . . 0.0 115.331 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -68.23 152.42 45.49 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.157 -0.964 . . . . 0.0 111.525 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.63 137.73 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.279 1.432 . . . . 0.0 110.755 -176.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -132.89 146.45 51.81 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.711 2.005 . . . . 0.0 111.277 -172.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -79.22 -21.39 46.32 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.86 1.264 . . . . 0.0 113.617 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -137.75 151.83 48.59 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.627 1.171 . . . . 0.0 112.558 -173.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.42 -42.6 95.95 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.096 0.959 . . . . 0.0 112.445 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -63.29 -35.7 81.23 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.28 0.632 . . . . 0.0 112.36 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.1 m -63.41 -43.25 98.05 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.555 0.742 . . . . 0.0 111.89 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.8 -45.87 77.0 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.518 0.599 . . . . 0.0 111.873 172.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -59.29 -40.16 85.27 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.15 0.886 . . . . 0.0 112.584 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.46 -34.88 68.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.314 0.646 . . . . 0.0 112.635 174.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -64.79 -44.04 91.24 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.373 0.669 . . . . 0.0 112.074 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.02 -23.63 54.99 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.984 0.913 . . . . 0.0 113.393 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -63.57 -20.73 65.88 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 pt -70.32 -25.65 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.685 1.13 . . . . 0.0 112.489 173.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -98.88 -44.15 6.47 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.358 1.463 . . . . 0.0 112.389 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -90.97 -8.6 48.76 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -170.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -126.77 145.21 50.7 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.543 1.137 . . . . 0.0 111.449 172.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -72.57 128.9 36.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.469 1.108 . . . . 0.0 111.035 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -139.45 135.9 17.38 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 125.0 1.32 . . . . 0.0 111.228 -177.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -73.0 -45.19 0.48 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.388 2.725 . . . . 0.0 114.728 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -91.55 83.35 5.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.861 0.755 . . . . 0.0 112.348 -169.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.29 145.17 44.18 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.29 1.036 . . . . 0.0 111.766 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.6 t -71.07 137.87 84.76 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.06 1.344 . . . . 0.0 111.003 169.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -75.73 -9.96 19.9 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.467 2.778 . . . . 0.0 113.131 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -113.61 -27.73 7.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -174.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.8 p -143.34 -173.49 3.95 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 120.155 1.343 . . . . 0.0 113.283 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -72.09 -7.84 51.25 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.282 1.433 . . . . 0.0 114.527 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -54.79 140.43 36.34 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.842 1.657 . . . . 0.0 113.413 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.98 150.38 36.83 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.567 1.147 . . . . 0.0 111.866 168.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -134.88 159.35 41.69 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.867 1.267 . . . . 0.0 113.17 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.4 -6.63 58.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.895 1.278 . . . . 0.0 112.912 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.5 mt -128.26 126.08 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.092 1.357 . . . . 0.0 110.291 -174.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -67.27 -34.67 77.91 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.929 0.892 . . . . 0.0 112.536 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.43 73.87 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.057 0.943 . . . . 0.0 112.766 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -71.38 -39.34 71.27 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.606 -0.684 . . . . 0.0 111.281 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.5 -38.92 89.08 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.422 -0.799 . . . . 0.0 111.614 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -66.96 -12.49 59.82 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 174.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.3 t -95.47 -38.0 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.899 1.28 . . . . 0.0 110.916 168.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.33 -40.05 96.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.287 1.035 . . . . 0.0 113.617 177.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -59.11 -28.45 66.54 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.158 -0.964 . . . . 0.0 113.171 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -62.06 -22.92 66.16 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.565 1.146 . . . . 0.0 112.826 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -76.94 -19.79 56.95 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.709 1.204 . . . . 0.0 112.999 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -88.18 12.32 14.09 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.303 1.441 . . . . 0.0 114.35 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 t -134.19 151.0 51.11 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.651 1.18 . . . . 0.0 112.272 171.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.61 -5.95 57.55 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.055 1.312 . . . . 0.0 114.473 171.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -149.6 155.3 40.06 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.036 1.418 . . . . 0.0 114.32 -173.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -141.01 159.98 41.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.369 1.868 . . . . 0.0 111.352 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -113.19 146.15 39.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.076 1.75 . . . . 0.0 110.067 172.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.13 144.21 42.9 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.962 0.905 . . . . 0.0 113.319 -169.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.8 t -71.17 148.08 47.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.198 1.399 . . . . 0.0 112.737 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -95.07 -10.1 31.73 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.328 1.451 . . . . 0.0 112.525 175.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -116.95 -19.81 9.65 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.246 1.419 . . . . 0.0 113.633 -171.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.4 p -146.18 -170.19 3.43 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.8 1.64 . . . . 0.0 111.875 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 p -84.41 1.38 45.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.664 1.586 . . . . 0.0 114.812 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.97 144.84 56.46 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.3 p -138.57 150.43 46.32 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.047 1.339 . . . . 0.0 112.401 171.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.8 p -145.97 173.34 12.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.607 1.563 . . . . 0.0 112.493 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.27 7.44 45.67 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.6 t -144.55 141.68 29.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.039 1.336 . . . . 0.0 112.13 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.15 -29.61 68.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.453 1.101 . . . . 0.0 112.33 172.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.34 -42.64 93.89 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 123.703 0.668 . . . . 0.0 111.784 171.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -65.14 -36.11 83.22 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.794 -0.827 . . . . 0.0 111.666 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.45 -42.73 95.79 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.433 0.693 . . . . 0.0 111.706 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -58.92 -48.02 82.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.156 0.583 . . . . 0.0 110.779 174.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.89 -42.06 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 118.67 0.668 . . . . 0.0 111.559 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -57.32 -49.43 76.13 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.367 0.985 . . . . 0.0 111.806 174.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.31 -44.82 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.059 -1.026 . . . . 0.0 111.231 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -74.43 -17.57 60.77 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -107.01 -30.39 8.85 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 175.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.72 -39.83 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 119.43 1.014 . . . . 0.0 112.171 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -102.75 -22.17 13.96 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -174.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -84.03 151.06 25.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.435 1.094 . . . . 0.0 111.007 167.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -107.48 -1.1 21.72 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.054 1.742 . . . . 0.0 115.034 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 pp -86.4 162.92 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.533 1.533 . . . . 0.0 113.352 -175.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.7 tttt . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.593 1.957 . . . . 0.0 111.313 -178.695 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 62.35 -17.8 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -148.3 160.6 42.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.807 1.643 . . . . 0.0 112.077 174.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.42 -165.45 49.69 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.239 0.923 . . . . 0.0 114.245 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -152.48 172.55 16.36 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.151 1.38 . . . . 0.0 112.24 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -71.52 -13.53 61.83 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 171.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.2 36.74 1.52 Allowed Glycine 0 CA--C 1.539 1.568 0 C-N-CA 126.163 1.839 . . . . 0.0 115.043 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -67.7 148.15 51.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.181 1.392 . . . . 0.0 112.628 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.1 mt -121.63 143.87 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.698 1.999 . . . . 0.0 108.964 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -121.29 135.16 55.15 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.098 1.359 . . . . 0.0 110.56 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -133.84 134.36 42.7 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.489 0.715 . . . . 0.0 111.935 -169.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 t -72.58 130.71 41.23 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.982 1.313 . . . . 0.0 111.467 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.37 -7.99 59.48 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -104.54 -31.4 9.46 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.521 1.128 . . . . 0.0 113.86 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 p -133.69 7.37 3.8 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.28 18.36 6.58 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.35 1.86 . . . . 0.0 115.344 175.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -69.31 150.6 47.19 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.959 -1.088 . . . . 0.0 111.795 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.9 t -118.12 136.85 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.459 1.504 . . . . 0.0 110.627 -176.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -133.93 147.38 51.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.636 1.974 . . . . 0.0 111.575 -172.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -77.08 -26.37 53.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.35 1.06 . . . . 0.0 113.632 -175.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -136.1 156.22 49.03 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.649 1.18 . . . . 0.0 112.773 -173.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -61.51 -41.61 97.57 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.133 0.973 . . . . 0.0 111.983 177.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -65.47 -32.13 73.58 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 m -65.75 -45.22 83.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.701 0.8 . . . . 0.0 111.53 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.9 tp -66.29 -43.13 87.17 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.973 -0.454 . . . . 0.0 112.0 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -59.86 -40.52 88.88 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.196 -0.94 . . . . 0.0 112.504 177.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.03 -30.92 64.11 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -68.23 -41.99 80.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.729 0.811 . . . . 0.0 112.149 172.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.0 mt -59.42 -17.04 27.36 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.658 1.183 . . . . 0.0 114.1 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -57.31 -22.95 45.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 pt -80.75 -26.23 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 119.22 0.918 . . . . 0.0 113.097 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -95.03 -27.53 15.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.096 1.358 . . . . 0.0 113.085 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -139.37 135.28 33.53 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.43 1.092 . . . . 0.0 112.246 172.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -149.48 41.77 0.88 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.01 1.724 . . . . 0.0 110.492 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.09 -26.2 68.44 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -114.28 130.39 24.01 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 125.307 1.443 . . . . 0.0 110.008 172.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -66.65 -46.05 4.1 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.077 2.518 . . . . 0.0 113.863 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -97.92 137.27 37.01 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.244 1.018 . . . . 0.0 110.868 -173.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -124.49 147.61 48.25 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.789 1.635 . . . . 0.0 111.911 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.4 t -71.34 133.47 85.27 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.488 1.115 . . . . 0.0 110.835 173.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.99 -9.29 16.75 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.619 2.879 . . . . 0.0 112.838 172.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -108.54 -29.11 8.94 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.8 p -143.51 -176.52 4.99 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.991 1.268 . . . . 0.0 112.846 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -70.72 -0.51 9.0 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.018 1.327 . . . . 0.0 114.347 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -64.95 145.79 55.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.043 1.737 . . . . 0.0 113.512 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.57 158.77 43.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.784 1.234 . . . . 0.0 112.641 170.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -139.06 153.17 48.03 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.607 1.963 . . . . 0.0 112.904 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.66 -8.1 57.74 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.804 1.241 . . . . 0.0 113.227 169.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.6 131.5 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.317 1.447 . . . . 0.0 110.757 -171.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -66.49 -34.83 78.79 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.653 0.781 . . . . 0.0 112.662 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.76 -28.73 63.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.248 1.019 . . . . 0.0 113.191 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -72.68 -37.9 67.73 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.783 -1.198 . . . . 0.0 110.849 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.8 tp -64.34 -34.86 79.11 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.668 -0.645 . . . . 0.0 112.256 171.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -57.66 -49.87 75.05 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.172 -0.955 . . . . 0.0 111.569 171.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.02 -34.07 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.103 0.961 . . . . 0.0 111.849 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -68.55 -42.18 78.73 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.442 -0.786 . . . . 0.0 112.999 173.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.66 -31.1 72.16 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.48 -1.388 . . . . 0.0 112.243 173.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -65.88 -8.25 21.07 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.656 1.183 . . . . 0.0 113.907 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -87.23 -26.78 23.33 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.837 1.255 . . . . 0.0 112.385 167.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -87.52 -29.19 21.52 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.337 1.455 . . . . 0.0 113.954 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.7 t -62.47 148.85 44.42 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -176.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.96 165.95 54.31 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.817 1.199 . . . . 0.0 115.509 -171.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -91.31 141.19 29.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.483 1.513 . . . . 0.0 110.5 173.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -108.85 153.82 22.98 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.504 1.522 . . . . 0.0 113.8 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -109.13 154.32 22.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.125 2.17 . . . . 0.0 110.334 174.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.49 145.29 49.62 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.451 1.101 . . . . 0.0 113.116 -175.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 45.9 t -64.78 141.72 58.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.194 1.398 . . . . 0.0 111.473 174.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.95 -7.19 59.26 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.302 1.041 . . . . 0.0 112.56 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -121.47 -23.41 5.65 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.167 1.387 . . . . 0.0 113.996 -169.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.4 p -145.72 -170.15 3.39 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.488 1.515 . . . . 0.0 112.368 176.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -81.59 -0.67 43.38 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.261 1.424 . . . . 0.0 114.766 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -63.47 145.76 54.99 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.307 1.043 . . . . 0.0 113.717 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.2 p -137.9 149.34 46.15 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.458 1.503 . . . . 0.0 112.033 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.4 t -148.01 150.01 33.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.399 1.08 . . . . 0.0 111.857 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -81.4 -7.4 59.57 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.852 0.861 . . . . 0.0 113.002 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.6 t -112.58 124.26 52.13 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.524 1.53 . . . . 0.0 111.157 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.77 -32.42 72.16 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.95 0.9 . . . . 0.0 111.92 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.87 93.74 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 123.991 0.805 . . . . 0.0 112.505 173.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -68.47 -32.74 72.96 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.676 -0.897 . . . . 0.0 112.286 175.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.72 -40.59 92.36 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.513 -0.742 . . . . 0.0 112.062 171.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.73 -42.2 98.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.325 -0.859 . . . . 0.0 111.561 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.21 -41.36 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.659 0.783 . . . . 0.0 111.64 174.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.06 -46.22 85.76 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.378 0.99 . . . . 0.0 111.636 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.51 -43.9 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 121.502 -0.748 . . . . 0.0 111.099 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -67.39 -30.96 70.87 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -85.5 -39.44 17.45 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -102.35 -30.18 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.232 1.013 . . . . 0.0 113.103 -169.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -126.7 15.31 7.54 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -169.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -138.7 161.67 36.59 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.346 1.858 . . . . 0.0 111.468 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.16 154.23 42.17 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.473 1.109 . . . . 0.0 112.884 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.0 pt -64.98 144.86 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.583 1.153 . . . . 0.0 111.719 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.757 2.023 . . . . 0.0 112.718 -174.503 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -65.94 -17.13 64.46 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -174.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -73.71 -12.72 60.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.782 1.233 . . . . 0.0 114.003 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.87 157.56 53.57 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.539 1.066 . . . . 0.0 113.983 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 p -78.27 150.2 33.41 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.749 1.219 . . . . 0.0 113.094 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -138.51 150.52 46.48 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.535 1.534 . . . . 0.0 111.727 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.15 161.2 54.29 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.018 0.818 . . . . 0.0 113.738 174.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -73.78 151.93 40.47 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.461 1.104 . . . . 0.0 111.744 176.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -126.68 141.17 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.05 1.74 . . . . 0.0 109.318 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -123.1 136.71 54.91 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.39 1.476 . . . . 0.0 110.434 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.2 m -133.43 134.99 44.31 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.514 0.726 . . . . 0.0 111.982 -170.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -72.11 129.26 38.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.217 1.407 . . . . 0.0 111.303 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -82.79 -6.74 59.56 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -106.57 -31.91 8.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.508 1.123 . . . . 0.0 113.786 -174.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -133.37 7.76 3.92 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 60.17 14.82 4.77 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.41 1.884 . . . . 0.0 115.863 175.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -65.45 150.94 47.5 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 111.887 170.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -120.18 137.73 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.289 1.436 . . . . 0.0 110.769 -176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -134.69 148.88 50.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.786 2.034 . . . . 0.0 111.248 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -78.4 -25.48 46.13 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -137.11 154.36 50.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.424 1.09 . . . . 0.0 112.931 -173.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.92 -41.88 92.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.682 1.193 . . . . 0.0 112.268 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -65.72 -32.73 74.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.54 0.736 . . . . 0.0 112.844 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.5 m -67.92 -43.65 78.69 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.455 0.702 . . . . 0.0 111.561 175.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.73 -43.24 89.63 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.181 0.446 . . . . 0.0 111.9 172.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -61.5 -39.36 90.7 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.428 1.013 . . . . 0.0 112.852 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.91 -31.1 64.43 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -67.87 -42.31 81.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.448 0.699 . . . . 0.0 112.115 170.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.98 -18.5 34.62 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.904 1.282 . . . . 0.0 114.114 -176.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -53.48 -26.65 21.42 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 pt -79.89 -19.14 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -105.66 -26.86 11.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.778 1.631 . . . . 0.0 113.694 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.1 p -75.37 -16.0 60.42 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.71 150.46 44.38 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.431 1.092 . . . . 0.0 113.207 172.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -70.6 161.0 31.49 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.241 1.817 . . . . 0.0 114.922 -170.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -129.71 144.31 52.47 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 126.841 2.056 . . . . 0.0 110.016 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -70.16 -42.08 3.27 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.411 2.074 . . . . 0.0 112.978 175.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -96.29 114.51 26.2 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.683 0.793 . . . . 0.0 110.957 -175.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -131.69 144.23 50.85 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 128.08 2.552 . . . . 0.0 110.569 -171.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.5 t -72.86 135.94 80.34 Favored Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 124.007 0.923 . . . . 0.0 111.814 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.55 -10.27 18.72 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.533 2.822 . . . . 0.0 113.141 172.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -116.79 -24.09 7.84 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.6 p -143.54 -176.44 4.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 120.333 1.424 . . . . 0.0 113.005 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -71.05 -1.7 13.05 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.015 1.326 . . . . 0.0 114.297 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -62.92 141.69 58.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.667 1.587 . . . . 0.0 113.668 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.73 152.61 36.92 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.461 1.504 . . . . 0.0 110.536 168.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -128.75 -25.9 2.77 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 -169.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 57.73 11.59 1.37 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.941 1.296 . . . . 0.0 114.169 -165.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.0 mt -139.92 123.48 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.356 1.463 . . . . 0.0 110.096 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -59.5 -45.45 91.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.851 1.261 . . . . 0.0 112.661 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.39 -36.03 82.36 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.145 0.978 . . . . 0.0 112.85 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -71.77 -39.72 69.78 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.612 -0.68 . . . . 0.0 111.101 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.67 -38.76 92.35 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.527 -0.733 . . . . 0.0 112.26 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -60.66 -36.03 77.72 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.965 0.906 . . . . 0.0 112.087 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.7 t -79.07 -33.34 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.158 -0.964 . . . . 0.0 112.146 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.08 -40.64 98.25 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.958 -1.088 . . . . 0.0 112.897 174.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.34 -31.93 70.77 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.906 -1.121 . . . . 0.0 112.645 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -66.45 -9.56 35.32 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -86.9 -17.83 32.31 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.162 1.385 . . . . 0.0 113.254 171.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -81.65 67.27 7.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.755 1.222 . . . . 0.0 111.436 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.5 p -133.08 163.07 30.08 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.18 1.792 . . . . 0.0 112.212 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.29 -172.62 25.47 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.855 1.216 . . . . 0.0 113.847 -177.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -74.26 119.54 18.6 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.285 1.034 . . . . 0.0 111.982 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -91.16 153.25 20.17 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.14 1.376 . . . . 0.0 113.345 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -119.7 143.98 47.46 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.949 2.5 . . . . 0.0 108.245 169.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.82 144.19 51.04 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -169.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.2 t -68.97 145.25 53.76 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.0 1.32 . . . . 0.0 112.504 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -91.63 -9.78 42.77 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.933 1.293 . . . . 0.0 112.425 175.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -118.02 -19.55 9.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.302 1.441 . . . . 0.0 113.679 -171.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.7 p -146.93 -168.18 2.97 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.848 1.659 . . . . 0.0 111.98 172.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.0 p -85.94 1.26 50.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.783 1.633 . . . . 0.0 114.884 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -62.78 144.22 56.72 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.585 1.154 . . . . 0.0 114.103 -175.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.3 p -137.25 148.79 46.69 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.088 1.355 . . . . 0.0 112.448 170.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.3 p -145.65 166.44 25.8 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.487 1.515 . . . . 0.0 112.093 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.3 mt -92.81 12.3 24.04 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.654 1.181 . . . . 0.0 114.112 -176.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.0 t -147.61 140.38 24.81 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.064 1.346 . . . . 0.0 111.907 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -68.03 -25.07 65.2 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.014 0.926 . . . . 0.0 113.005 170.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.88 -42.83 76.96 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 123.71 0.671 . . . . 0.0 111.783 171.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.75 -34.99 79.12 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.956 -0.732 . . . . 0.0 111.498 172.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.1 tp -66.74 -42.75 85.74 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.654 -0.654 . . . . 0.0 112.051 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.1 -46.83 87.29 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.199 0.6 . . . . 0.0 111.099 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.15 -42.17 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.746 0.818 . . . . 0.0 111.704 175.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -59.52 -47.75 84.31 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.932 0.787 . . . . 0.0 111.995 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.62 -45.63 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 121.444 -0.785 . . . . 0.0 111.046 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -63.21 -39.31 94.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.443 0.697 . . . . 0.0 112.829 178.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -80.0 -40.98 26.77 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.8 t -98.42 -36.36 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.96 0.904 . . . . 0.0 113.005 -169.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -110.14 -37.25 5.62 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -170.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -78.47 -23.06 46.65 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.773 0.715 . . . . 0.0 111.449 167.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 mttm 53.96 50.54 16.54 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.306 2.243 . . . . 0.0 112.627 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.8 tp -59.54 137.67 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.627 1.171 . . . . 0.0 112.252 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm . . . . . 0 C--O 1.252 1.221 0 C-N-CA 127.004 2.122 . . . . 0.0 111.386 -176.371 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -68.41 147.84 51.51 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.462 1.105 . . . . 0.0 112.984 -178.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -76.43 -17.04 59.54 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -174.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.09 -168.32 50.56 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.425 1.012 . . . . 0.0 113.742 -174.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.9 p -149.34 158.87 44.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.104 1.362 . . . . 0.0 112.672 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -152.81 158.86 42.86 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.326 1.45 . . . . 0.0 111.487 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.54 173.28 54.44 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.612 1.101 . . . . 0.0 114.418 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -74.6 173.64 10.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.366 1.066 . . . . 0.0 112.666 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.3 mt -112.41 145.39 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.802 1.641 . . . . 0.0 110.114 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -124.83 142.92 51.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.317 1.847 . . . . 0.0 110.909 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.0 m -136.27 136.93 40.23 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.801 0.84 . . . . 0.0 112.451 -172.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 t -71.78 131.81 43.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.419 1.488 . . . . 0.0 111.834 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.08 -9.68 59.46 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -105.35 -32.33 8.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -175.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.08 6.97 3.94 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.9 t30 58.15 19.32 5.99 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.242 1.817 . . . . 0.0 115.593 175.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -68.66 151.55 46.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.5 1.12 . . . . 0.0 111.508 170.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -119.41 136.99 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.19 1.396 . . . . 0.0 110.914 -174.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -134.03 148.41 51.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.588 1.955 . . . . 0.0 111.458 -172.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -77.88 -24.19 48.57 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -138.17 151.65 47.93 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.342 1.057 . . . . 0.0 112.463 -169.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.29 -45.78 93.06 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.516 1.126 . . . . 0.0 112.345 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -66.38 -33.52 75.91 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.313 0.645 . . . . 0.0 112.594 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.9 m -63.32 -43.47 97.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.521 0.728 . . . . 0.0 111.647 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.88 -45.53 81.71 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 119.019 -0.515 . . . . 0.0 111.682 171.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.77 -40.58 84.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.731 1.15 . . . . 0.0 112.911 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 -34.52 70.8 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 175.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -64.85 -45.07 87.66 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.849 -0.532 . . . . 0.0 111.942 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -56.47 -25.33 50.57 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.296 1.039 . . . . 0.0 113.282 -175.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -50.91 -32.5 20.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.632 1.173 . . . . 0.0 113.976 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt -66.49 -28.46 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.669 1.122 . . . . 0.0 112.69 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -94.59 -37.66 11.24 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.355 1.462 . . . . 0.0 112.51 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.7 p -92.8 -26.51 17.66 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -169.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -76.54 132.54 39.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.423 1.01 . . . . 0.0 110.679 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.22 -16.05 61.42 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 114.239 1.199 . . . . 0.0 114.239 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.87 132.22 95.17 Favored Pre-proline 0 N--CA 1.475 0.791 0 C-N-CA 123.657 0.783 . . . . 0.0 110.94 173.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.22 -38.74 1.92 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.528 2.152 . . . . 0.0 113.951 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -100.12 82.88 2.6 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.346 0.658 . . . . 0.0 111.896 -168.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -74.25 146.03 43.58 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.657 -0.652 . . . . 0.0 111.065 171.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.5 t -65.72 134.5 95.31 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.286 1.034 . . . . 0.0 110.51 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -71.78 -9.82 25.45 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.156 2.571 . . . . 0.0 112.92 173.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -120.02 -22.02 6.86 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.7 p -146.2 -170.25 3.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 120.837 1.653 . . . . 0.0 113.375 174.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -75.23 0.96 14.74 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.488 1.515 . . . . 0.0 114.193 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -66.96 150.84 48.67 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.91 1.684 . . . . 0.0 113.104 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.22 150.82 36.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.343 1.057 . . . . 0.0 113.443 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 t -133.15 155.02 50.07 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.287 1.835 . . . . 0.0 112.597 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.35 -1.95 43.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.94 1.296 . . . . 0.0 112.74 168.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mt -135.57 129.45 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.76 1.624 . . . . 0.0 109.912 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -65.96 -33.98 77.07 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.465 0.706 . . . . 0.0 112.534 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.1 96.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.911 0.884 . . . . 0.0 112.399 172.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -67.26 -35.42 79.49 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.189 -0.945 . . . . 0.0 111.762 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.08 -33.93 77.2 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.488 -0.757 . . . . 0.0 112.18 171.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -65.47 -39.44 91.96 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 120.019 1.281 . . . . 0.0 112.486 171.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.55 -23.24 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 124.722 1.209 . . . . 0.0 112.205 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -83.49 -44.8 14.32 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.148 0.979 . . . . 0.0 113.347 169.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.55 -32.05 72.94 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.343 -1.473 . . . . 0.0 113.226 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -62.56 -13.28 29.27 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 172.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -81.63 -26.19 35.02 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.944 1.298 . . . . 0.0 112.876 170.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -84.69 -36.23 22.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.493 1.117 . . . . 0.0 113.408 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.7 t -69.19 161.73 28.56 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -172.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.7 -46.45 0.1 OUTLIER Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.882 1.23 . . . . 0.0 112.971 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -74.43 139.93 44.31 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 122.302 1.049 . . . . 0.0 111.303 173.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -153.28 165.6 35.23 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.049 1.739 . . . . 0.0 112.971 -169.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -120.84 147.96 44.67 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.139 2.175 . . . . 0.0 110.003 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -132.24 144.37 50.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.169 0.987 . . . . 0.0 113.308 -170.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.3 t -69.87 145.5 51.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.485 1.514 . . . . 0.0 112.69 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -91.6 -10.2 41.36 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.155 1.382 . . . . 0.0 112.504 176.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -117.38 -22.1 8.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.315 1.446 . . . . 0.0 113.662 -171.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 p -145.24 -171.63 3.7 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.755 1.622 . . . . 0.0 112.238 174.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 m -82.25 0.93 39.05 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.24 1.416 . . . . 0.0 114.586 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -63.42 144.17 57.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.536 1.135 . . . . 0.0 114.058 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.8 p -135.87 149.01 48.86 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.595 1.558 . . . . 0.0 112.058 171.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 26.9 p -146.45 173.11 12.58 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.549 1.54 . . . . 0.0 112.101 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 72.8 mt -100.93 11.59 39.3 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -173.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.1 t -147.85 140.37 24.54 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.547 1.139 . . . . 0.0 112.334 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.76 -29.88 71.04 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.872 0.869 . . . . 0.0 112.197 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.09 -42.67 91.78 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 123.833 0.73 . . . . 0.0 112.222 171.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.89 -35.18 80.32 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.728 -0.866 . . . . 0.0 111.632 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.06 -45.59 80.8 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.506 0.722 . . . . 0.0 111.53 173.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.5 -47.16 82.68 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.436 0.695 . . . . 0.0 111.071 175.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 67.9 t -61.53 -44.85 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.697 0.799 . . . . 0.0 111.496 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -57.12 -47.86 80.06 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.329 0.968 . . . . 0.0 111.672 175.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.64 -47.16 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 O-C-N 121.612 -0.68 . . . . 0.0 110.846 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -57.77 -46.6 84.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.021 0.928 . . . . 0.0 112.698 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -78.1 -35.7 48.98 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 t -102.25 -34.55 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -169.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -122.47 -30.25 3.97 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 -169.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -70.24 -21.0 63.03 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.383 1.073 . . . . 0.0 113.582 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -133.53 145.95 50.6 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.102 2.161 . . . . 0.0 109.446 169.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.3 pt -63.96 150.06 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 124.572 1.149 . . . . 0.0 112.692 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.435 ' HA ' ' HE2' ' A' ' 92' ' ' LYS . 11.5 mmpt? . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.839 2.055 . . . . 0.0 111.967 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_